SCHEMBL14414059

SCHEMBL14414059

Cc1cc2c(cc1C(=O)O)C(C)(C)CC(C)C2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 9/20 0.58
RXRA P19793 18/20 0.48
RXRB P28702 11/20 0.48
RXRG P48443 11/20 0.48
RARB P10826 9/20 0.48
RARA P10276 5/20 0.48
MEN1 O00255 1/20 0.46
CYP26A1 O43174 1/20 0.46
ABCB11 O95342 1/20 0.46
ESR1 P03372 1/20 0.46
PGR P06401 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL9299399 0.88 RARG (0.52) RARGRXRARXRBRXRGRARB
SCHEMBL23633279 0.88 RARG (0.52) RARGRXRARXRBRXRGRARB
SCHEMBL29357179 0.88 RARG (0.52) RARGRXRARXRBRXRGRARB
SCHEMBL10689218 0.88 RARG (0.52) RARGRXRARXRBRXRGRARB
SCHEMBL110818 0.88 RARG (0.52) RARGRXRARXRBRXRGRARB
SCHEMBL4411079 0.84 RARG (0.49) RARGRXRARXRBRXRGRARB
SCHEMBL27845308 0.84 RARG (0.49) RARGRXRARXRBRXRGRARB
SCHEMBL15391839 0.83 RARG (0.48) RARGRXRARXRBRXRGRARB
SCHEMBL12620743 0.83 RARG (0.48) RARGRXRARXRBRXRGRARB
SCHEMBL10842219 0.81 RARB (0.74) RARGRXRARXRBRXRGRARB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007102016-A1 USE OF A CYCLIC OR POLYCYCLIC MUSK BEARING AN ALDEHYDE GROUP FLEXITRAL, INC. (US) 2007-09-13 WO disclosed