SCHEMBL8320121

SCHEMBL8320121

C=C(Cc1ccc(C(=O)O)s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.69
RXRB P28702 10/20 0.69
RXRG P48443 10/20 0.69
RARB P10826 8/20 0.57
RARG P13631 6/20 0.57
RARA P10276 4/20 0.54
CYP26A1 O43174 2/20 0.54
CYP26B1 Q9NR63 2/20 0.54
MEN1 O00255 1/20 0.54
ABCB11 O95342 1/20 0.54
ESR1 P03372 1/20 0.54
PGR P06401 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1A P35348 1/20 0.54

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
SCHEMBL12572383 0.91 RXRA (0.66) RXRARXRBRXRGRARBRARG
SCHEMBL5929423 0.82 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL8318880 0.79 RXRA (0.57) RXRARXRBRXRGRARBRARG
SCHEMBL5929415 0.79 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL16892326 0.78 RXRA (0.50) RXRARXRBRXRGRARBRARG
SCHEMBL28518784 0.78 RXRA (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL8320253 0.75 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL7224376 0.74 RXRA (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL3688709 0.73 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL3688710 0.73 RXRA (1.00) RXRARXRBRXRGRARBRARG

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
US-5962508-A THERAPY, COSMETIC SOCIETE L'OREAL S.A. (FR) 1999-10-05 US claimed
US-5962508-A THERAPY, COSMETIC SOCIETE L'OREAL S.A. (FR) 1999-10-05 US disclosed