SCHEMBL7066671

SCHEMBL7066671

CCC(C)c1cc(C2(c3ccc(O)c(C(C)CC)c3)CC(C)CC(C)(C)C2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.56
ESR2 Q92731 3/20 0.56
RORC P51449 1/20 0.40
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL296467 0.88 ESR1 (0.60) ESR1ESR2
SCHEMBL29459396 0.88 ESR1 (0.60) ESR1ESR2
SCHEMBL21538491 0.81 ESR1 (0.69) ESR1ESR2TSHRALDH1A1GAA
SCHEMBL7914528 0.80 ESR1 (0.60) ESR1ESR2TSHRALDH1A1
SCHEMBL6258466 0.80 ESR1 (0.50) ESR1ESR2ALDH1A1ALOX15HSD17B10
SCHEMBL7914460 0.80 ESR1 (0.56) ESR1ESR2
SCHEMBL29404012 0.78 ESR1 (0.65) ESR1ESR2ALDH1A1GAA
SCHEMBL29459501 0.78 ESR1 (0.65) ESR1ESR2ALDH1A1GAA
SCHEMBL244496 0.78 ESR1 (0.65) ESR1ESR2ALDH1A1GAA
SCHEMBL7066672 0.78 ESR1 (0.57) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995737-B1 Process for producing 3,3,5-trimethylcyclohexylidenebisphenols HONSHU CHEMICAL IND (JP) 2003-06-04 EP disclosed
US-6284931-B1 REACTION OF 3,3,5-TRIMETHYLCYCLOHEXANONE AND PHENOL TO FORM DIPHENOL DERIVATIVE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-04 US disclosed
EP-0995737-A1 Process for producing 3,3,5-trimethylcyclohexylidenebisphenols Honshu Chemical Industry Co. Ltd. (JP) 2000-04-26 EP disclosed