SCHEMBL11661682

SCHEMBL11661682

[CH]=CC(C)(O)COc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ AOC2 O75106 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ FDPS P14324 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ AR P10275 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11660360 0.82 LMNA (0.40) SSTR4FDPSCYP2D6CYP2C19
SCHEMBL13301356 0.75 CYP1A2 (0.44) SSTR4MAOBDRD2DRD4DRD3
SCHEMBL11450188 0.75 SSTR4 (0.41) SSTR4MAOBFDPSARCYP1A2
SCHEMBL11665744 0.74 SSTR4 (0.40) SSTR4MAOBFDPSARCYP1A2
SCHEMBL25144902 0.74 CYP1A2 (0.43) SSTR4MAOBDRD2DRD4DRD3
SCHEMBL2341418 0.74 MEN1 (0.42) MAOBAOC2DAOMAOA
SCHEMBL5048630 0.72 AR (0.47) SSTR4MAOBAR
SCHEMBL12392895 0.72 MAOB (0.47) SSTR4MAOBAR
SCHEMBL12392883 0.72 MAOB (0.47) SSTR4MAOBAR
SCHEMBL11662719 0.72 MAOB (0.49) MAOBL3MBTL1

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
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
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