SCHEMBL7577079

SCHEMBL7577079

CC1(C)CC(C)(c2cccc(O)c2)c2cc(O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.43
OPRK1 P41145 4/20 0.38
OPRM1 P35372 3/20 0.38
SLC22A1 O15245 1/20 0.36
CHRM2 P08172 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
NR3C1 P04150 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL9174146 0.94 OPRD1 (0.43) OPRD1OPRK1OPRM1SLC22A1CHRM2
SCHEMBL6894180 0.86 OPRD1 (0.42) OPRD1OPRK1OPRM1SLC22A1CHRM2
SCHEMBL728580 0.85 ALDH1A1 (0.38) OPRD1OPRK1OPRM1ALDH1A1LMNA
SCHEMBL7996227 0.85 ALDH1A1 (0.38) OPRD1OPRK1OPRM1ALDH1A1LMNA
SCHEMBL7996188 0.85 ALDH1A1 (0.38) OPRD1OPRK1OPRM1ALDH1A1LMNA
SCHEMBL29459356 0.85 ALDH1A1 (0.38) OPRD1OPRK1OPRM1ALDH1A1LMNA
SCHEMBL7777156 0.83 MEN1 (0.36) OPRD1OPRK1OPRM1ALDH1A1LMNA
SCHEMBL11156140 0.82 NR3C1 (0.40) ALDH1A1LMNACYP3A4NR3C1
SCHEMBL12760926 0.81 NR3C1 (0.39) OPRD1OPRK1OPRM1ACHEALDH1A1
SCHEMBL3420839 0.80 ESR2 (0.44) ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1106369-C Method for producing and purifying 3-(4-hydroxyphenyl)-1,1,3-trimethylindan-5-ol BAYER AG (DE) 2003-04-23 CN disclosed
EP-0994836-B1 METHOD FOR PRODUCING AND PURIFYING 3-(4-HYDROXYPHENYL)-1,1,3-TRIMETHYLINDAN-5-OL BAYER AG (DE) 2002-10-02 EP disclosed
US-6225512-B1 Method for producing and purifying 3-(3-hydroxyphenyl)-1,1,3-trimethylindan-5-ol BAYER AKTIENGESELLSCHAFT (DE) 2001-05-01 US disclosed
CN-1261872-A Process for the preparation and purification of 3- (4-hydroxyphenyl) -1, 1, 3-trimethylindan-5-ol BAYER AG (DE) 2000-08-02 CN disclosed
EP-0994836-A1 METHOD FOR PRODUCING AND PURIFYING 3-(4-HYDROXYPHENYL)-1,1,3-TRIMETHYLINDAN-5-OL BAYER AG (DE) 2000-04-26 EP disclosed
WO-1999001415-A1 METHOD FOR PRODUCING AND PURIFYING 3-(3-HYDROXYPHENYL)-1,1,3-TRIMETHYLINDAN-5-OL BAYER AKTIENGESELLSCHAFT (DE) 1999-01-14 WO disclosed
WO-1999001415-A1 METHOD FOR PRODUCING AND PURIFYING 3-(3-HYDROXYPHENYL)-1,1,3-TRIMETHYLINDAN-5-OL BAYER AKTIENGESELLSCHAFT (DE) 1999-01-14 WO disclosed
EP-0342758-B1 Preparation of bisphenols SHELL INT RESEARCH (NL) 1995-05-10 EP disclosed
EP-0342758-A1 Preparation of bisphenols SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-11-23 EP disclosed