SCHEMBL7889455

SCHEMBL7889455

C=C(c1cccc(C=O)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.61
RXRB P28702 8/20 0.61
RXRG P48443 8/20 0.61
RARB P10826 6/20 0.61
RARG P13631 5/20 0.61
RARA P10276 3/20 0.61
MEN1 O00255 1/20 0.61
CYP26A1 O43174 1/20 0.61
ABCB11 O95342 1/20 0.61
ESR1 P03372 1/20 0.61
PGR P06401 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61

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
SCHEMBL4532789 0.87 RXRA (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL7897308 0.86 RARB (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL7760231 0.85 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL7760227 0.85 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL6892007 0.84 RXRA (0.62) RXRARXRBRXRGRARBRARG
SCHEMBL7760324 0.82 RXRA (0.80) RXRARXRBRXRGRARBRARG
SCHEMBL7756699 0.81 RXRA (0.78) RXRARXRBRXRGRARBRARG
SCHEMBL7760712 0.81 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL7756555 0.81 RXRA (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL7756564 0.81 RXRA (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258775-B1 3-(3-(5,5,8,8-TETRAMATHYL-5,6,7,8-TETRAHYDRO-2-NAPHTYLCARBONYL )PHENYL)ACRYLIC ACID FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-07-10 US disclosed