SCHEMBL17808971

SCHEMBL17808971

Cc1cccc(Oc2ccc(C3(c4ccc(Oc5cccc(Oc6ccc(C(c7cccc(C(c8ccc(Oc9cccc(C)c9C#N)cc8)(C(F)(F)F)C(F)(F)F)c7)(C(F)(F)F)C(F)(F)F)cc6)c5C#N)cc4)c4ccccc4-c4ccccc43)cc2)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.37
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
PDK2 Q15119 1/20 0.30
MAPT P10636 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
SCHEMBL15760417 0.96 AR (0.37) ARESR1ESR2CYP1A2CYP2C19
SCHEMBL15760413 0.87 ESR1 (0.34) ARESR1ESR2CYP1A2CYP2C19
SCHEMBL17808968 0.87 AR (0.43) ARCYP1A2CYP2C19CYP3A4SMN1; SMN2
SCHEMBL17808966 0.86 AR (0.44) ARCYP1A2CYP2C19CYP3A4SMN1; SMN2
SCHEMBL12433519 0.85 MAPT (0.41) ARSMN1; SMN2PDK2MAPT
SCHEMBL15760408 0.85 ESR1 (0.40) ARESR1ESR2CYP1A2CYP2C19
SCHEMBL10084168 0.81 AR (0.45) ARCYP1A2CYP2C19CYP3A4SMN1; SMN2
SCHEMBL15760418 0.81 AR (0.40) ARESR1ESR2CYP1A2CYP2C19
SCHEMBL18179357 0.81 SMN1; SMN2 (0.35) ARESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL12960254 0.81 POLB (0.47) ARESR1ESR2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9764276-B2 Resin composition and carbon dioxide gas separation membrane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-19 US disclosed
US-20160158692-A1 RESIN COMPOSITION AND CARBON DIOXIDE GAS SEPARATION MEMBRANE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed