SCHEMBL7308740

SCHEMBL7308740

CC1=C(CC(=O)O)CCc2ccc(OCc3ccc(C#N)cc3)cc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.57
MAOA P21397 5/20 0.57
RXRA P19793 3/20 0.48
RXRB P28702 3/20 0.48
RXRG P48443 3/20 0.48
RAB9A P51151 2/20 0.46
S1PR1 P21453 2/20 0.44
SMPD1 P17405 1/20 0.43
PTGER4 P35408 1/20 0.41
ACHE P22303 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL7305882 0.80 RXRA (0.45) MAOBMAOARXRARXRBRXRG
SCHEMBL7305943 0.77 MAOB (0.46) MAOBRAB9AACHENPC1
SCHEMBL7312304 0.70 PPARA (0.53) MAOBMAOARXRARXRBRXRG
SCHEMBL7308736 0.70 MAOB (0.51) MAOBMAOARXRARXRBRXRG
SCHEMBL4429103 0.69 ITGB3 (0.70) MAOBMAOARXRARXRBRXRG
SCHEMBL29097893 0.69 S1PR1 (0.53) MAOBMAOARXRARXRBRXRG
SCHEMBL4423694 0.68 ITGB3 (0.76) MAOBMAOA
SCHEMBL29741480 0.68 MAOB (0.81) MAOBMAOARAB9ASMPD1
SCHEMBL18664184 0.68 MAOB (0.81) MAOBMAOARAB9ASMPD1
SCHEMBL4419593 0.67 ITGB3 (0.72) MAOBMAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed