SCHEMBL7302216

SCHEMBL7302216

CCOC(=O)C1CCCc2ccc(COc3ccc(C#N)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.47
MAOA P21397 3/20 0.47
RAB9A P51151 1/20 0.45
RXRB P28702 1/20 0.42
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CMKLR1 Q99788 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PTGER4 P35408 1/20 0.38
FFAR1 O14842 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL7397683 0.78 MAOB (0.50) MAOBMAOARAB9ARXRBKCNH2
SCHEMBL7300477 0.74 PPARA (0.49) MAOBMAOARAB9ARXRBKCNH2
SCHEMBL7300468 0.73 RAB9A (0.44) MAOBMAOARAB9ARXRBKCNH2
SCHEMBL7434670 0.72 MAOB (0.48) MAOBMAOARAB9ARXRBKCNH2
SCHEMBL2115724 0.70 ALDH1A1 (0.51) L3MBTL1KDM4EFFAR1MEN1LMNA
SCHEMBL7307184 0.70 MAOB (0.46) MAOBMAOARAB9AKCNH2PPARD
SCHEMBL22070895 0.69 CYP11B1 (0.42) L3MBTL1KDM4EPPARDPPARACYP11B1
SCHEMBL31318415 0.69 ACHE (0.53) MAOBMAOA
SCHEMBL7312304 0.69 PPARA (0.53) MAOBMAOARAB9ARXRBKCNH2
SCHEMBL7302211 0.69 RXRB (0.45) MAOBMAOARAB9ARXRBPTGER4

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