SCHEMBL7579554

SCHEMBL7579554

COc1cccc(COc2[c]cc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.49
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
HTR1A P08908 2/20 0.42
ABCB1 P08183 2/20 0.42
DRD2 P14416 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
FFAR1 O14842 1/20 0.40
ACHE P22303 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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 0.78 MAOB (0.41) MAOB
SCHEMBL7589101 0.78 MAOB (0.41) MAOBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6477647 0.76 MAOB (0.50) MAOBIDO1AGXTHTR1AABCB1
SCHEMBL5491284 0.74 RXRA (0.35)
SCHEMBL6472648 0.74 MAOB (0.48) MAOBIDO1AGXTHTR1AABCB1
SCHEMBL7583942 0.74 RARG (0.32)
SCHEMBL6810250 0.72 MAOB (0.55) MAOBIDO1AGXTHTR1AABCB1
SCHEMBL14547318 0.71 MAOB (0.81) MAOBIDO1AGXTHTR1AABCB1
SCHEMBL13722545 0.71 MAOB (0.61) MAOBIDO1AGXTHTR1AABCB1
SCHEMBL5499418 0.71 RXRA (0.39)

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