SCHEMBL2559226

SCHEMBL2559226

CCOc1ccc(CC=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.61
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 4/20 0.49
PARP10 Q53GL7 1/20 0.47
RELA Q04206 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
LTA4H P09960 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
Phenetole SCHEMBL18131913 0.86 LTA4H (0.57) NQO1RELALTA4HSMN1; SMN2LMNA
1,4-Diethoxybenzene SCHEMBL28074334 0.84 NQO1 (0.70) NQO1TDP1TSHRALDH1A1PARP10
SCHEMBL12088667 0.83 SMN1; SMN2 (0.56) TSHRALDH1A1CA12CA1CA2
SCHEMBL6869710 0.83 LMNA (0.54) TSHRALDH1A1CA12CA1CA2
SCHEMBL7340996 0.83 NQO1 (0.50) NQO1TDP1TSHRALDH1A1PARP10
SCHEMBL30594477 0.83 AKR1C3 (0.46) NQO1TDP1TSHRALDH1A1RELA
SCHEMBL810802 0.83 ALDH1A1 (0.47) NQO1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9253733 0.83 NQO1 (0.61) NQO1TDP1TSHRALDH1A1PARP10
SCHEMBL910343 0.82 NQO1 (0.54) NQO1TDP1TSHRALDH1A1PARP10
SCHEMBL28270126 0.81 NQO1 (0.58) NQO1TDP1TSHRALDH1A1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263778-A Preparation method of styrene series compound for 248nm photoresist 河北凯诺中星科技有限公司 2023-12-22 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
EP-3681864-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2020-07-22 EP disclosed
EP-3397616-B1 LSD1 INHIBITORS MIRATI THERAPEUTICS INC (US) 2020-06-10 EP disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
WO-2019053634-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2019-03-21 WO disclosed
WO-2019028104-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ALPHALA CO., LTD. (TW) 2019-02-07 WO disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-4777294-A HYPOGLYCEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-10-11 US disclosed
US-4701559-A HYPOGLYCEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1987-10-20 US disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0056194-B1 N-SUBSTITUTED PSEUDO-AMINOSUGARS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-09-12 EP disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
EP-0034430-B1 PROCESS FOR PREPARING ARYLACETALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-05 EP disclosed
US-4338467-A IN THE PRESENCE OF A COBALT CATALYST AND A NITRILE SOLVENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-07-06 US disclosed
EP-0034430-A1 Process for preparing arylacetaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-08-26 EP disclosed
US-3962281-A METHOD OF PREPARING ALDEHYDES SAGAMI CHEMICAL RESEARCH CENTER (JA) 1976-06-08 US disclosed