SCHEMBL536637

SCHEMBL536637

Cc1cc(CC(C)C)c(O)c(CC(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.58
GABRB2 P47870 2/20 0.58
AMY1A P0DUB6 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSPA5 P11021 1/20 0.41
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
SELE P16581 1/20 0.40
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2357159 0.94 AMY1A (0.55) GABRA1GABRB2AMY1ACYP2C9CYP2C19
SCHEMBL6934299 0.89 GABRA1 (0.47) GABRA1GABRB2AMY1ACYP2C9CYP2C19
SCHEMBL26729451 0.84 GABRA1 (0.42) GABRA1GABRB2AMY1ACYP2C9CYP2C19
SCHEMBL18554676 0.84 GABRA1 (0.42) GABRA1GABRB2AMY1ACYP2C9CYP2C19
SCHEMBL17187961 0.83 GABRA1 (0.60) GABRA1GABRB2ALOX15ALOX12
SCHEMBL821232 0.82 HSPA5 (0.68) GABRA1GABRB2CYP2C9CYP2C19HIF1A
SCHEMBL27750499 0.81 ERN1 (0.60) GABRA1GABRB2ALOX15ALOX12TYR
SCHEMBL10015719 0.81 CYP2C9 (0.78) GABRA1GABRB2AMY1ACYP2C9CYP2C19
SCHEMBL1538588 0.81 GABRA1 (0.61) GABRA1GABRB2CYP2C9CYP2C19HIF1A
SCHEMBL6443715 0.80 AMY1A (0.48) GABRA1GABRB2AMY1ACYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115074173-B Anti-stain rolling oil and application thereof in rolling process of single-stand cold rolling mill 宝山钢铁股份有限公司 2023-03-14 CN claimed
CN-115074173-A Anti-stain rolling oil and application thereof in rolling process of single-stand cold rolling mill 宝山钢铁股份有限公司 2022-09-20 CN claimed
CN-108250341-B Catalyst system containing metallocene compound and method for catalyzing olefin polymerization by using catalyst system 北京引发科技有限公司 2020-12-11 CN claimed
CN-106987300-B Maintenance-free metal rolling liquid containing polymeric cations and preparation method thereof 奎克化学(中国)有限公司 2019-12-13 CN claimed
CN-110512427-A A kind of collection of filaments agent UNIV GUANGDONG PETROCHEM TECH 2019-11-29 CN claimed
CN-108250341-A The method of catalyst system and its catalysis in olefine polymerization containing metallocene compound 北京引发科技有限公司 2018-07-06 CN claimed
CN-101614714-B Method for determining chemical components of Maillard reaction of acid hydrolysate of paphiaundulata juice concentrate GUANGDONG OCEAN UNIVERSITY (CN) 2011-12-07 CN claimed
CN-101614714-A The assay method of the mailland reaction chemical constitution of Ba Fei clam concentrate acid hydrolysate UNIV GUANGDONG OCEAN 2009-12-30 CN claimed
US-5344804-A Tungsten compound with silane and boron halide for catalytic polymerization SHELL RESEARCH LIMITED (GB) 1994-09-06 US claimed
WO-1994019385-A1 PROCESS FOR PREPARATION OF STABLE, MOULDED THERMOSET POLYMERS OF CYCLO-OLEFINS AND THERMOSET MOULDED POLYMERS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-09-01 WO claimed
EP-0528496-A2 Polymerization of cycloolefins and catalytic system suitable for use therein SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-02-24 EP claimed
EP-2683749-B1 ALUMINOXANE CATALYST ACTIVATORS CONTAINING CARBOCATION AGENTS, AND USE THEREOF IN POLYOLEFIN CATALYSTS GRACE W R & CO (US) 2023-06-07 EP disclosed
CN-115074173-B Anti-stain rolling oil and application thereof in rolling process of single-stand cold rolling mill 宝山钢铁股份有限公司 2023-03-14 CN disclosed
CN-115074173-A Anti-stain rolling oil and application thereof in rolling process of single-stand cold rolling mill 宝山钢铁股份有限公司 2022-09-20 CN disclosed
EP-3825145-A1 TIRE RUBBER COMPOSITION AND TIRE Sumitomo Rubber Industries, Ltd. (JP) 2021-05-26 EP disclosed
US-4836943-A MIXTURE OF HINDERED PHENOL AND N-AMINOHYDROCARBYL PIPECOLINE TEXACO INC. (US) 1989-06-06 US disclosed
EP-0245792-A2 Process for the preparation of carboxylic-acid esters BAYER AG (DE) 1987-11-19 EP disclosed
US-4704412-A RESISTANCE TO GAMMA RADIATION, LOW MONOMER CONTENT THE STANDARD OIL COMPANY (US) 1987-11-03 US disclosed
US-4418169-A SYNERGISTIC ORGANOTIN AND HINDERED PHENOLIC COMPOUNDS M & T CHEMICALS INC. (US) 1983-11-29 US disclosed
US-4225483-A Boric acid esters and oxetanes for stabilizing phosphite-free polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed