SCHEMBL9965654

SCHEMBL9965654

COc1ccc(CC2=C(C3=C(c4cc(-c5ccc(OC)cc5)sc4-c4ccc(OC)cc4)C(F)(F)C(F)(F)C3(F)F)CC(c3ccc(OC)cc3)S2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31

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
SCHEMBL9977620 0.87 PDGFRB (0.33) MAPTTP53SMN1; SMN2PDGFRBKIT
SCHEMBL12999573 0.84 HSD17B1 (0.31)
SCHEMBL9965656 0.84 EP300 (0.31)
SCHEMBL10035902 0.80 ALOX5 (0.37) MAPTTP53SMN1; SMN2PDGFRBKIT
SCHEMBL10002013 0.79 APP (0.45) MAPTTP53SMN1; SMN2PDGFRBKIT
SCHEMBL16021760 0.77 OPRD1 (0.41) MAPTTP53SMN1; SMN2
SCHEMBL16011190 0.74 APP (0.40) MAPTTP53SMN1; SMN2PDGFRBKIT
SCHEMBL14838430 0.73 MAOA (0.35) MAPTTHRB
SCHEMBL14838514 0.72 OPRD1 (0.39) MAPTTP53SMN1; SMN2PDGFRBKIT
SCHEMBL9965662 0.72 HSD17B1 (0.33)

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
WO-2012079159-A1 VARIABLE TRANSMITTANCE OPTICAL DEVICES SWITCH MATERIALS INC. (CA) 2012-06-21 WO disclosed