SCHEMBL3865992

SCHEMBL3865992

NC(CCO)c1cccc(C#CC2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 3/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
KCNH2 Q12809 1/20 0.38
PTGES O14684 3/20 0.36
PTGES2 Q9H7Z7 1/20 0.34
PAX8 Q06710 1/20 0.34
BACE1 P56817 1/20 0.34
GRM5 P41594 2/20 0.34
CYP1A2 P05177 1/20 0.34
CFD P00746 1/20 0.34
TPSB2 P20231 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL3862235 1.00 HAO1 (0.38) HAO1FFAR1FFAR4KCNH2PTGES
SCHEMBL3860383 1.00 HAO1 (0.38) HAO1FFAR1FFAR4KCNH2PTGES
SCHEMBL3860142 0.99 HAO1 (0.37) HAO1FFAR1FFAR4KCNH2PTGES
SCHEMBL3862593 0.93 PTGES (0.38) HAO1FFAR1PTGESBACE1GRM5
SCHEMBL14576175 0.82 GRM5 (0.32) GRM5CFDTPSB2
SCHEMBL3862437 0.81 HAO1 (0.41) HAO1PAX8GRM5CFDTPSB2
SCHEMBL235715 0.80 HAO1 (0.38) HAO1FFAR1FFAR4KCNH2PTGES
SCHEMBL233546 0.80 HAO1 (0.38) HAO1FFAR1FFAR4KCNH2PTGES
SCHEMBL233144 0.80 HAO1 (0.38) HAO1FFAR1FFAR4KCNH2PTGES
SCHEMBL3860996 0.78 KCNH2 (0.41) HAO1FFAR1FFAR4KCNH2PTGES

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