SCHEMBL28429152

SCHEMBL28429152

Cc1cc(C(F)C(F)(F)C(F)(F)F)cc(CO)c1O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.45
S1PR1 P21453 1/20 0.33
ADRB2 P07550 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
HIF1A Q16665 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
ADRB1 P08588 1/20 0.30

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
SCHEMBL11043796 0.85 CA1 (0.39) CYP1A2ESR1ESR2
SCHEMBL14616399 0.76 SHBG (0.57) SHBGS1PR1ADRB2CYP1A2CYP2D6
SCHEMBL8347004 0.74 SHBG (0.55) SHBGS1PR1CYP1A2CYP2D6ESR1
SCHEMBL28429155 0.73 SHBG (0.46) SHBGS1PR1CYP1A2CYP2D6ESR1
SCHEMBL25446769 0.71 SHBG (0.52) SHBGS1PR1ADRB2CYP1A2CYP2D6
SCHEMBL5303378 0.71 SHBG (0.52) SHBGS1PR1ADRB2CYP1A2CYP2D6
SCHEMBL19410100 0.71 SHBG (0.52) SHBGS1PR1CYP1A2CYP2D6ESR1
SCHEMBL7606337 0.71 CYP3A4 (0.37)
SCHEMBL7461092 0.71
SCHEMBL28454384 0.70 ESR1 (0.41) CYP1A2CYP2D6HIF1AESR1ESR2

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
CN-107077070-B Photosensitive resin composition, cured film, element provided with cured film, and method for manufacturing semiconductor device 东丽株式会社 2020-06-16 CN disclosed