SCHEMBL7759687

SCHEMBL7759687

C=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1C=CC(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.47
RARB P10826 8/20 0.47
RARG P13631 7/20 0.47
RXRB P28702 6/20 0.47
RXRG P48443 5/20 0.47
RARA P10276 4/20 0.47
CYP26A1 O43174 3/20 0.43
CYP26B1 Q9NR63 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

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
SCHEMBL7759682 1.00 RXRA (0.47) RXRARARBRARGRXRBRXRG
SCHEMBL7759704 0.89 RXRA (0.49) RXRARARBRARGRXRBRXRG
SCHEMBL7761266 0.89 RXRA (0.49) RXRARARBRARGRXRBRXRG
SCHEMBL7761216 0.85 CYP26A1 (0.57) RXRARARBRARGRXRBRXRG
SCHEMBL7761212 0.85 CYP26A1 (0.57) RXRARARBRARGRXRBRXRG
SCHEMBL7759779 0.82 RARA (0.51) RXRARARBRARGRXRBRXRG
SCHEMBL7761551 0.82 RARA (0.51) RXRARARBRARGRXRBRXRG
SCHEMBL6880799 0.79 RARB (0.51) RXRARARBRARGRARACYP3A4
SCHEMBL7897272 0.79 RXRA (0.56) RXRARARBRARGRXRBRXRG
SCHEMBL7756555 0.79 RXRA (0.53) 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 3 patents. 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 claimed
EP-0915823-B1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CT INTERNAT DE (FR) 2001-04-18 EP claimed
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