SCHEMBL7899449

SCHEMBL7899449

COC(=O)/C=C/c1cccc(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.60
RXRA P19793 10/20 0.52
RARB P10826 9/20 0.52
RARG P13631 9/20 0.52
RXRB P28702 8/20 0.52
RXRG P48443 6/20 0.52
RARA P10276 8/20 0.49
CYP26B1 Q9NR63 1/20 0.49
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
P4HB P07237 1/20 0.44
NPC1 O15118 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL7899451 1.00 CYP26A1 (0.60) CYP26A1RXRARARBRARGRXRB
SCHEMBL29567021 0.89 CYP26A1 (0.75) CYP26A1RXRARARBRARGRXRB
SCHEMBL17914357 0.89 CYP26A1 (0.75) CYP26A1RXRARARBRARGRXRB
SCHEMBL7900823 0.88 RXRA (0.53) CYP26A1RXRARARBRARGRXRB
SCHEMBL7900821 0.88 RXRA (0.53) CYP26A1RXRARARBRARGRXRB
SCHEMBL7758836 0.87 CYP26A1 (0.79) CYP26A1RXRARARBRARGRXRB
SCHEMBL7758834 0.87 CYP26A1 (0.79) CYP26A1RXRARARBRARGRXRB
SCHEMBL7872206 0.84 RARA (0.55) CYP26A1RXRARARBRARGRXRB
SCHEMBL7872209 0.84 RARA (0.55) CYP26A1RXRARARBRARGRXRB
SCHEMBL3108598 0.80 BCHE (0.54) KDM4EMEN1KMT2AGAAALDH1A1

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