SCHEMBL8370941

SCHEMBL8370941

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
TAAR1 Q96RJ0 1/20 0.43
TEAD1 P28347 2/20 0.42
MAOA P21397 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
MIF P14174 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
DAO P14920 1/20 0.36

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
SCHEMBL4795942 1.00 MAOB (0.51) MAOBTAAR1TEAD1MAOAOPRM1
SCHEMBL4795951 1.00 MAOB (0.51) MAOBTAAR1TEAD1MAOAOPRM1
SCHEMBL8939572 0.96 MAOB (0.48) MAOBTAAR1TEAD1MAOA
SCHEMBL8939568 0.96 MAOB (0.48) MAOBTAAR1TEAD1MAOA
SCHEMBL8939577 0.96 MAOB (0.48) MAOBTAAR1TEAD1MAOA
SCHEMBL9227953 0.91 MAOB (0.51) MAOBTAAR1MAOA
SCHEMBL9227947 0.91 MAOB (0.51) MAOBTAAR1MAOA
SCHEMBL9191043 0.90 HDAC1 (0.43) MAOBTAAR1TEAD1HDAC1HDAC8
SCHEMBL9398346 0.90 HDAC1 (0.43) MAOBTAAR1TEAD1HDAC1HDAC8
SCHEMBL9191041 0.90 HDAC1 (0.43) MAOBTAAR1TEAD1HDAC1HDAC8

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-0494368-B1 Supertwist liquid crystal display MERCK PATENT GMBH (DE) 1999-01-20 EP disclosed
EP-0494368-A2 Supertwist liquid crystal display MERCK PATENT GmbH (DE) 1992-07-15 EP disclosed