SCHEMBL9578019

SCHEMBL9578019

CC(C)(O)c1ccc2ccccc2c1C(C)(C)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KCNJ11 Q14654 6/20 0.41

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
SCHEMBL11954796 0.90 HSD17B10 (0.43) HSD17B10HPGDCYP1A2CYP2C19HIF1A
SCHEMBL23499948 0.80 PTPN22 (0.52) HSD17B10HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL547819 0.77 ALDH1A1 (0.44) HSD17B10HPGDCYP1A2CYP2C19HIF1A
SCHEMBL30692453 0.77 ALDH1A1 (0.43) HSD17B10HPGDCYP1A2CYP2C19HIF1A
SCHEMBL29380144 0.77 ALDH1A1 (0.44) HSD17B10HPGDCYP1A2CYP2C19HIF1A
SCHEMBL21205413 0.77 ALDH1A1 (0.43) HSD17B10HPGDCYP1A2CYP2C19HIF1A
SCHEMBL9578026 0.76 ALDH1A1 (0.38) HSD17B10CYP2C19ALDH1A1KDM4ETSHR
SCHEMBL14063310 0.76 HSD17B10 (0.45) HSD17B10HPGDCYP1A2CYP2C19HIF1A
SCHEMBL14063308 0.76 ALDH1A1 (0.41) HSD17B10HPGDCYP1A2CYP2C19HIF1A
SCHEMBL547654 0.75 MEN1 (0.41) HSD17B10HPGDCYP1A2CYP2C19HIF1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4570012-A ADDITION OF DIOLS AND CARBAMIC ACID ESTERS AMERICAN CYANAMID CO. (US) 1986-02-11 — — US claimed
EP-0318591-B1 PROCESS FOR PREPARING DIHYDROXYNAPHTHALENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-08-18 — — EP disclosed
US-4962241-A HYDROLYSIS OF DIACYLOXYNAPHTHALENE IN A WATER CONTAINING SOLVENT IN THE PRESENCE OF AN ACID CATALYST ; HIGH PURITY, YIELD MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-10-09 — — US disclosed
EP-0318591-A1 PROCESS FOR PREPARING DIHYDROXYNAPHTHALENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-07 — — EP disclosed
US-4814521-A Process for producing 2,6-dihydroxynaphthalene and 2,6-diacetoxynaphthalene KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-03-21 — — US disclosed
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