SCHEMBL9548038

SCHEMBL9548038

Cc1cccc(C(=O)O)c1N=CCc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 6/20 0.49
RARB P10826 5/20 0.49
RARA P10276 5/20 0.49
RXRA P19793 15/20 0.47
RXRB P28702 9/20 0.47
RXRG P48443 9/20 0.47
CYP26A1 O43174 3/20 0.43
CYP26B1 Q9NR63 2/20 0.43
MEN1 O00255 1/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
PGR P06401 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL9548032 0.82 RARB (0.49) RARGRARBRARARXRARXRB
SCHEMBL9548060 0.78 RARG (0.49) RARGRARBRARARXRARXRB
SCHEMBL9548075 0.74 RXRA (0.43) RARGRARBRXRARXRBRXRG
SCHEMBL6430446 0.74 RARB (0.64) RARGRARBRARARXRARXRB
SCHEMBL10459825 0.73 RXRA (0.63) RARGRARBRARARXRARXRB
SCHEMBL9548043 0.71 RARB (0.47) RARGRARBRARARXRARXRB
SCHEMBL9188931 0.70 RARB (0.34) RARGRARBRARARXRARXRB
SCHEMBL9188913 0.70 RARB (0.34) RARGRARBRARARXRARXRB
SCHEMBL21239597 0.70 ATM (0.37) MEN1KMT2A
SCHEMBL4994091 0.69 RXRA (0.50) RARGRARBRARARXRARXRB

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
US-5264615-A Perfumes or odors GIVAUDAN CORPORATION (US) 1993-11-23 US disclosed