SCHEMBL8322151

SCHEMBL8322151

C=C(Cc1cc(C(=O)O)cs1)c1cc2c(cc1C)SCCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.44
RARB P10826 9/20 0.44
RARG P13631 8/20 0.44
RXRB P28702 5/20 0.44
RXRG P48443 5/20 0.44
RARA P10276 6/20 0.43
CYP26A1 O43174 2/20 0.43
MEN1 O00255 1/20 0.43
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
PGR P06401 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43

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
SCHEMBL8318880 0.87 RXRA (0.57) RXRARARBRARGRXRBRXRG
SCHEMBL8458834 0.77 RXRA (0.50) RXRARARBRARGRXRBRXRG
SCHEMBL7063731 0.76 RARB (0.77) RXRARARBRARGRXRBRXRG
SCHEMBL7066591 0.76 RARB (0.77) RXRARARBRARGRXRBRXRG
SCHEMBL7224376 0.72 RXRA (0.44) RXRARARBRARGRXRBRXRG
SCHEMBL9187195 0.71 RXRA (0.52) RXRARARBRARGRXRBRXRG
SCHEMBL10936302 0.70 RARB (0.74) RXRARARBRARGRXRBRXRG
SCHEMBL10936300 0.70 RARB (0.74) RXRARARBRARGRXRBRXRG
SCHEMBL28518784 0.69 RXRA (0.70) RXRARARBRARGRXRBRXRG
SCHEMBL8320253 0.68 RXRA (0.58) RXRARARBRARGRXRBRXRG

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