SCHEMBL3859911

SCHEMBL3859911

NC(CCO)c1cccc(CC#CCC2CCCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.34
TPSB2 P20231 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
HAO1 Q9UJM8 1/20 0.31
TRPV3 Q8NET8 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
SCHEMBL3870016 0.99 CFD (0.35) CFDTPSB2NPC1RAB9AL3MBTL1
SCHEMBL3862437 0.83 HAO1 (0.41) CFDTPSB2NPC1RAB9AL3MBTL1
SCHEMBL3861228 0.81 CFD (0.45) CFDTPSB2
SCHEMBL3865749 0.76 CFD (0.37) CFDTPSB2RAB9A
SCHEMBL3870084 0.75 CFD (0.39) CFDTPSB2
SCHEMBL1003362 0.72 SIRT2 (0.45)
SCHEMBL2151103 0.72 SIRT2 (0.45)
SCHEMBL3862235 0.72 HAO1 (0.38) CFDTPSB2HAO1
SCHEMBL3860383 0.72 HAO1 (0.38) CFDTPSB2HAO1
SCHEMBL2150738 0.72 EPHX1 (0.38) NPC1OPRD1OPRK1

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
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed