SCHEMBL15760413

SCHEMBL15760413

Cc1cccc(Oc2ccc(C(C)(C)c3cccc(C(C)(C)c4ccc(Oc5cccc(Oc6ccc(C7(c8ccc(Oc9cccc(C)c9C#N)cc8)c8ccccc8-c8ccccc87)cc6)c5C#N)cc4)c3)cc2)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
AR P10275 3/20 0.34
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
OPRK1 P41145 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
EZH2 Q15910 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
SCHEMBL18179357 0.92 SMN1; SMN2 (0.35) ESR1ESR2ARMAPTMEN1
SCHEMBL18179336 0.91 SMN1; SMN2 (0.34) ESR1ESR2ARMAPTMEN1
SCHEMBL13250809 0.90 MAPT (0.40) ARMAPTEZH2
SCHEMBL17808971 0.87 AR (0.37) ESR1ESR2ARMAPTSMN1; SMN2
SCHEMBL15760408 0.87 ESR1 (0.40) ESR1ESR2ARMAPTMEN1
SCHEMBL18179329 0.86 AR (0.33) ESR1ESR2ARMAPTMEN1
SCHEMBL14264198 0.86 MAPT (0.43) ARMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13250812 0.86 MAPT (0.43) ARMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15760409 0.85 ESR1 (0.41) ESR1ESR2ARMAPTMEN1
SCHEMBL15760417 0.85 AR (0.37) ESR1ESR2ARMAPTMEN1

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