SCHEMBL15760417

SCHEMBL15760417

Cc1cccc(Oc2ccc(C3(c4ccc(Oc5cccc(Oc6ccc(C(c7ccc(Oc8cccc(C)c8C#N)cc7)(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 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.37
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
SLC6A4 P31645 1/20 0.30
PDK2 Q15119 1/20 0.30
HSD11B1 P28845 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR5 Q9H1C0 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
SCHEMBL17808971 0.96 AR (0.37) ARESR1ESR2MAPTCYP1A2
SCHEMBL12433519 0.89 MAPT (0.41) ARMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL15760408 0.88 ESR1 (0.40) ARESR1ESR2MAPTCYP1A2
SCHEMBL15760413 0.85 ESR1 (0.34) ARESR1ESR2MAPTCYP1A2
SCHEMBL10084168 0.84 AR (0.45) ARMAPTCYP1A2CYP2C19CYP3A4
SCHEMBL12960254 0.84 POLB (0.47) ARESR1ESR2MAPTCYP1A2
SCHEMBL18179357 0.82 SMN1; SMN2 (0.35) ARESR1ESR2MAPTCYP3A4
SCHEMBL17808968 0.81 AR (0.43) ARMAPTCYP1A2CYP2C19CYP3A4
SCHEMBL15760416 0.81 MAPT (0.43) ARESR1ESR2MAPTSMN1; SMN2
SCHEMBL18179336 0.81 SMN1; SMN2 (0.34) ARESR1ESR2MAPTCYP3A4

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 3 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
US-20140154610-A1 AROMATIC COPOLYMER HAVING PROTON CONDUCTIVE GROUP AND USES THEREOF JSR CORPORATION (JP) 2014-06-05 US disclosed