SCHEMBL4372304

SCHEMBL4372304

C=CCCCCCCCC(C)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.47
ESR2 Q92731 11/20 0.47
CYP3A4 P08684 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
AR P10275 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
ESRRG P62508 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SHBG P04278 1/20 0.38
HIF1A Q16665 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL8674769 0.86 ESR1 (0.53) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL9330093 0.86 ESR1 (0.60) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL10794179 0.84 ESR1 (0.62) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL674172 0.80 ESR1 (0.62) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL339165 0.79 ESR1 (0.58) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL10752311 0.79 ESR1 (0.58) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL2862178 0.79 ESR1 (0.58) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL74674 0.79 ESR1 (0.58) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL5029048 0.79 ESR1 (0.58) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL895364 0.79 ESR1 (0.58) ESR1ESR2CYP3A4ALDH1A1HPGD

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
US-20090117478-A1 Polycarbonate Resin and Electrophotographic Photosensitive Body Using Same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-05-07 US disclosed