SCHEMBL7899456

SCHEMBL7899456

CCOC(=O)C=CCCc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 4/20 0.46
CYP26A1 O43174 4/20 0.46
RXRA P19793 6/20 0.45
RXRG P48443 4/20 0.45
RXRB P28702 3/20 0.45
RARA P10276 4/20 0.45
RARB P10826 4/20 0.45
RARG P13631 4/20 0.45
MAPT P10636 2/20 0.41
PPARG P37231 4/20 0.41
CYP3A4 P08684 1/20 0.39
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL8529268 0.83 RXRA (0.58) CYP26B1CYP26A1RXRARXRGRXRB
SCHEMBL7897276 0.81 RXRA (0.43) RXRARXRGRXRBRARBRARG
SCHEMBL8424521 0.78 MAPT (0.48) MAPTCYP3A4TTRDPP4
SCHEMBL8424519 0.78 MAPT (0.48) MAPTCYP3A4TTRDPP4
SCHEMBL18786579 0.78 RXRA (0.52) CYP26B1CYP26A1RXRARXRGRXRB
SCHEMBL18214356 0.78 MAPT (0.43) RXRARXRGRXRBMAPTCYP3A4
SCHEMBL18214437 0.78 MAPT (0.43) RXRARXRGRXRBMAPTCYP3A4
SCHEMBL7882982 0.77 TTR (0.58) CYP26B1CYP26A1RXRARARARARB
SCHEMBL7882979 0.77 TTR (0.58) CYP26B1CYP26A1RXRARARARARB
SCHEMBL16831438 0.76 GPR52 (0.54) MAPTCYP3A4TTRDPP4

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