SCHEMBL2033478

SCHEMBL2033478

CC(C)(CC(C)(C)c1ccccc1)C(=O)OO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL28452452 0.87 KCNN4 (0.44) KCNN4CYP2C19HIF1ATAAR1ALDH1A1
SCHEMBL16853358 0.81 CYP2C19 (0.48) KCNN4CYP2C19HIF1ATAAR1ALDH1A1
SCHEMBL24200998 0.79 FABP7 (0.40) KCNN4CYP2C19HIF1ATAAR1ALDH1A1
SCHEMBL24997844 0.75 HDAC3 (0.46) KCNN4CYP2C19HIF1ATAAR1MAPT
SCHEMBL9034523 0.75 MAPT (0.57) KCNN4CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL11124404 0.75 POLB (0.45) CYP2C19HIF1AALDH1A1MAPTKMT2A
SCHEMBL28308777 0.74 MMP8 (0.47) CYP2C19HIF1ATAAR1ALDH1A1ALOX15
SCHEMBL8034045 0.74 CYP2C19 (0.50) KCNN4CYP2C19HIF1ATAAR1ALDH1A1
SCHEMBL24170126 0.74 HDAC3 (0.44) KCNN4CYP2C19HIF1ATAAR1MAPT
Benzoyl Peroxide SCHEMBL30291878 0.73 LMNA (0.53) CYP2C19HIF1AALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344635-B1 METHOD FOR THE PREPARATION OF CYANOHYDRIN ESTERS CONTAINING PHOSPHORUS BASF SE (DE) 2019-08-07 EP claimed
EP-3143030-B1 METHOD FOR THE PREPARATION OF CYANOHYDRINS CONTAINING PHOSPHORUS BASF SE (DE) 2019-07-17 EP claimed
EP-3344635-A1 METHOD FOR PRODUCING CYANOHYDRIN ESTERS CONTAINING PHOSPHOROUS Bayer CropScience Aktiengesellschaft (DE) 2018-07-11 EP claimed
EP-3143030-A1 PROCESS FOR PREPARING PHOSPHORUS-CONTAINING CYANOHYDRINS Bayer CropScience Aktiengesellschaft (DE) 2017-03-22 EP claimed
WO-2017037009-A1 METHOD FOR PRODUCING CYANOHYDRIN ESTERS CONTAINING PHOSPHOROUS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-09 WO claimed
WO-2015173146-A1 PROCESS FOR PREPARING PHOSPHORUS-CONTAINING CYANOHYDRINS BAYER CROPSCIENCE AG (DE) 2015-11-19 WO claimed
EP-0309088-B1 In-mold coating powder containing 1,1'-di(t-butylperoxy)-3,3,5-trimethylcyclohexane as an initiator. MORTON INT INC (US) 1995-11-15 EP claimed
EP-0355997-B1 POLYMERISATION PROCESS AND CATALYST SYSTEM THEREFOR POLYSAR LIMITED (CA) 1993-09-15 EP claimed
US-4943616-A LEWIS ACID AND PEROXIDE, ISOBUTYLENE POLYSAR LIMITED (CA) 1990-07-24 US claimed
US-4908421-A Charging isobutylene, organic peroxy compound, Lewis acid to reaction vessel, polymerizing POLYSAR LIMITED (CA) 1990-03-13 US claimed
EP-0355997-A2 Polymerisation process and catalyst system therefor POLYSAR LIMITED (CA) 1990-02-28 EP claimed
US-4873274-A In-mold coating powders with two initiators or 1,1-di(t-butylperoxy)-3,3,5-trimethylcyclohexane as a single initiator MORTON THIOKOL, INC. (US) 1989-10-10 US claimed
EP-0309088-A2 In-mold coating powder containing 1,1'-di(t-butylperoxy)-3,3,5-trimethylcyclohexane as an initiator. MORTON INTERNATIONAL, INC. (US) 1989-03-29 EP claimed
CN-114929818-A Non-porous microparticles 科思创(荷兰)有限公司 2022-08-19 CN disclosed
WO-2022113997-A1 FIBER-REINFORCED RESIN COMPOSITION AND MOLDED ARTICLE 三井化学株式会社 2022-06-02 WO disclosed
WO-2020241665-A1 MACROPHAGE IMAGING AGENT 国立大学法人京都大学 2020-12-03 WO disclosed
US-4908421-A Charging isobutylene, organic peroxy compound, Lewis acid to reaction vessel, polymerizing POLYSAR LIMITED (CA) 1990-03-13 US disclosed
EP-0355997-A2 Polymerisation process and catalyst system therefor POLYSAR LIMITED (CA) 1990-02-28 EP disclosed
EP-0309088-A2 In-mold coating powder containing 1,1'-di(t-butylperoxy)-3,3,5-trimethylcyclohexane as an initiator. MORTON INTERNATIONAL, INC. (US) 1989-03-29 EP disclosed
US-4075236-A FROM ACID CHLORIDE, A HYDROPEROXIDE AND AN ALKALI METAL HYDROXIDE PENNWALT CORPORATION (US) 1978-02-21 US disclosed