SCHEMBL9176385

SCHEMBL9176385

CC(C)c1ccc2cc(C(C)(C)O)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.46
▸ CYP2D6 P10635 3/20 0.43
▸ HIF1A Q16665 3/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TRPA1 O75762 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ EIF4A3 P38919 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL547724 0.83 PTPN1 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4ALDH1A1
SCHEMBL17461416 0.82 HSD17B10 (0.44) UGT2B7CYP2C9ALDH1A1GAATSHR
SCHEMBL547580 0.81 PTPN1 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4ALDH1A1
SCHEMBL6671217 0.80 UGT2B7 (0.42) UGT2B7CYP2D6HIF1ACYP2C9TRPA1
SCHEMBL25480411 0.80 UGT2B7 (0.39) UGT2B7CYP2D6HIF1ACYP2C9TRPA1
SCHEMBL548731 0.79 PTPN1 (0.50) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL565578 0.79 CYP2C9 (0.57) CYP2D6HIF1ACYP2C9TRPA1PTGS1
Hydrogen Peroxide SCHEMBL9840257 0.79 UGT2B7 (0.60) UGT2B7CYP2D6HIF1ATRPA1PTGS1
Hydrogen Peroxide SCHEMBL9172508 0.79 UGT2B7 (0.60) UGT2B7CYP2D6HIF1ATRPA1PTGS1
SCHEMBL181347 0.78 UGT2B7 (0.58) UGT2B7CYP2D6HIF1ATRPA1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484319-B1 A process of producing isopropylnaphthols MITSUI PETROCHEMICAL IND (JP) 1995-11-08 — — EP disclosed
EP-0482573-B1 Process for producing polyhydroperoxy aromatic compound MITSUBISHI PETROCHEMICAL CO (JP) 1995-04-12 — — EP disclosed
EP-0318591-B1 PROCESS FOR PREPARING DIHYDROXYNAPHTHALENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-08-18 — — EP disclosed
US-5196598-A PROCESS FOR PRODUCING POLYHYDROPEROXY AROMATIC COMPOUND MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-03-23 — — US disclosed
EP-0308133-B1 A METHOD OF OXIDISING SECONDARY ALKYL SUBSTITUTED NAPHTHALENES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 — — EP disclosed
EP-0260147-B1 PROCESS FOR PREPARING HYDROXYNAPHTHALENES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-07-01 — — EP disclosed
EP-0484319-A1 A process of producing isopropylnaphthols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 — — EP disclosed
EP-0482573-A2 Process for producing polyhydroperoxy aromatic compound MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-04-29 — — EP disclosed
EP-0288428-B1 PROCESS FOR PREPARING 2,6-DIHYDROXYNAPHTHALENE CIBA-GEIGY AG (CH) 1992-01-29 — — EP disclosed
US-5003113-A Process of producing isopropylnaphthols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-03-26 — — US 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-0370729-A1 Process for producing isopropylnaphthols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-05-30 — — EP disclosed
US-4906790-A Method of oxidizing secondary alkyl substituted naphtalenes and a process of producing isopropylnaphthols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-03-06 — — US disclosed
US-4861920-A Process for the preparation of 2,6-dihydroxynaphthalene CIBA-GEIGY CORPORATION (US) 1989-08-29 — — US disclosed
EP-0318591-A1 PROCESS FOR PREPARING DIHYDROXYNAPHTHALENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-07 — — EP disclosed
EP-0308133-A1 A method of oxidising secondary alkyl substituted naphthalenes MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-03-22 — — EP disclosed
US-4783557-A Processes for preparing hydroxynaphthalenes MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-11-08 — — US disclosed
EP-0288428-A1 Process for preparing 2,6-dihydroxynaphthalene CIBA-GEIGY AG (CH) 1988-10-26 — — EP disclosed
US-4746757-A OZIDIZING AN ISOPROPYLNAPHTHALENE COMPOUND WITH A PEROXODISULFATE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-05-24 — — US disclosed
Send feedback