SCHEMBL3859050

SCHEMBL3859050

CCCc1cccc(C#Cc2ccc(C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
FFAR1 O14842 8/20 0.47
KCNH2 Q12809 2/20 0.43
PTGES O14684 2/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM5 P41594 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL3836802 0.87 PTGES (0.50) FFAR1KCNH2PTGES
SCHEMBL16631499 0.86 CA12 (0.50) CA12CA1CA2CA9FFAR1
SCHEMBL233927 0.82 CA12 (0.48) CA12CA1CA2CA9FFAR1
SCHEMBL3859573 0.81 PTGES (0.44) FFAR1PTGESGRM5
SCHEMBL9742359 0.81 ASIC3 (0.49) CA12CA1CA2CA9FFAR1
SCHEMBL3859036 0.81 FFAR1 (0.47) FFAR1PTGESGRM5
SCHEMBL9328210 0.81 FFAR1 (0.59) CA12CA1CA2CA9FFAR1
SCHEMBL9349697 0.81 FFAR1 (0.59) CA12CA1CA2CA9FFAR1
SCHEMBL16631365 0.81 CA12 (0.47) CA12CA1CA2CA9FFAR1
SCHEMBL3864253 0.80 ASIC3 (0.47) FFAR1PTGES

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