SCHEMBL7589101

SCHEMBL7589101

CC1(C)CCC(C)(C)c2cc(OCc3ccc(F)cc3)[c]cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.41
MAOA P21397 4/20 0.40
APP P05067 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
GRM5 P41594 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
SCHEMBL7584313 0.86 MAOB (0.41) MAOBMAOAAPP
SCHEMBL7579554 0.78 MAOB (0.49) MAOBMEN1NPC1RAB9AKMT2A
SCHEMBL6473179 0.74 PTPN1 (0.45) MAOBMAOAAPPNPC1PKM
SCHEMBL5499418 0.74 RXRA (0.39)
SCHEMBL7583942 0.74 RARG (0.32)
SCHEMBL6472697 0.72 LIPE (0.46) MAOBMAOAAPPNPC1PKM
SCHEMBL5491284 0.71 RXRA (0.35)
SCHEMBL14060231 0.68 MAOB (0.43) MAOBMAOAAPP
SCHEMBL5047166 0.66 MAOB (0.48) MAOBMAOAMEN1NPC1RAB9A
SCHEMBL17698456 0.65 MAPT (0.42) MAOBMAOAMEN1NPC1CYP1A2

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-0947496-B1 Bicyclic aromatic compounds and their use in human and veterinary medicine as well as in cosmetology GALDERMA RES & DEV (FR) 2002-10-09 EP disclosed
EP-0947496-A1 Bicyclic aromatic compounds and their use in human and veterinary medicine as well as in cosmetology Galderma Research & Development, S.N.C. (FR) 1999-10-06 EP disclosed