SCHEMBL4838732

SCHEMBL4838732

C=C(CC(C)(CCC)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.57
ESR2 Q92731 11/20 0.57
CYP3A4 P08684 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
AR P10275 2/20 0.40
TSHR P16473 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR6 P50406 2/20 0.40
ESRRG P62508 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
USP2 O75604 1/20 0.40
NR3C1 P04150 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL733201 0.81 SHBG (0.53) ESR1ESR2CYP3A4HSD17B10LMNA
SCHEMBL3419256 0.79 SHBG (0.53) ESR1ESR2CYP3A4HSD17B10LMNA
SCHEMBL20414723 0.78 SHBG (0.50) ESR1ESR2CYP3A4HSD17B10LMNA
SCHEMBL31618446 0.77 ESR1 (0.70) ESR1ESR2CYP3A4HSD17B10LMNA
SCHEMBL29130605 0.72 CYP2C19 (0.41) CYP2C19PTGS2HIF1A
SCHEMBL29113544 0.70 SHBG (0.41) ESR1ESR2CYP3A4LMNAAR
SCHEMBL12199037 0.69 ESR1 (0.59) ESR1ESR2CYP3A4HSD17B10LMNA
SCHEMBL9627145 0.69 HSD17B3 (0.57) ESR1ESR2CYP3A4HSD17B10LMNA
SCHEMBL199692 0.69 ESR1 (0.65) ESR1ESR2CYP3A4HSD17B10LMNA
SCHEMBL69106 0.69 ESR1 (0.65) ESR1ESR2CYP3A4HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358016-B2 Electrophotographic photoreceptor and electrophoto-graphic apparatus equipped with the same OSAKA GAS CO., LTD. (JP) 2008-04-15 US disclosed
EP-1542083-B1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND ELECTROPHOTO- GRAPHIC APPARATUS EQUIPPED WITH THE SAME OSAKA GAS CO LTD (JP) 2006-10-04 EP disclosed
US-20050238975-A1 Electrophotographic photoreceptor and electrophoto-graphic apparatus equipped with the same OSAKA GAS CO., LTD., (JP) 2005-10-27 US disclosed
EP-1542083-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND ELECTROPHOTO- GRAPHIC APPARATUS EQUIPPED WITH THE SAME OSAKA GAS CO., LTD. (JP) 2005-06-15 EP disclosed