SCHEMBL11267446

SCHEMBL11267446

C/C=C(\c1ccccc1)C(c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ESR1 P03372 8/20 0.40
LMNA P02545 5/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP2C19 P33261 2/20 0.39
CES2 O00748 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL8768148 0.90 TDP1 (0.50) TDP1L3MBTL1LMNAHSD17B10MAPT
SCHEMBL9451160 0.83 CA2 (0.53) CNR1CNR2ESR1LMNAHSD17B10
SCHEMBL9661912 0.80 ESR1 (0.47) ESR1LMNAMAPTCYP1A2CYP3A4
SCHEMBL19639015 0.80 CNR1 (0.40) TDP1L3MBTL1IDO1TDO2CNR1
SCHEMBL4543424 0.78 ESR1 (0.59) ESR1LMNAMAPTCYP3A4CYP2D6
SCHEMBL7209286 0.76 KDM4E (0.55) TDP1L3MBTL1ESR1LMNAMAPT
SCHEMBL8611247 0.75 CYP19A1 (0.51) ESR1CYP1A2CYP3A4ESR2CYP19A1
SCHEMBL7032426 0.75 CYP19A1 (0.51) ESR1CYP1A2CYP3A4ESR2CYP19A1
SCHEMBL4620169 0.75 GAA (0.51) ESR1MAPTCYP3A4CYP2D6ESR2
SCHEMBL10893461 0.74 ALDH1A1 (0.41) ESR1LMNAMAPTCYP3A4ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0019377-B1 1-HYDROCARBYLOXYPHENYL-1,2-DIPHENYLALKENE DERIVATIVES, THEIR MANUFACTURE AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-08-04 EP disclosed