SCHEMBL7759779

SCHEMBL7759779

C=C(c1cccc(C=CC(=O)OCC)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.51
RARB P10826 7/20 0.51
RARG P13631 7/20 0.51
RXRA P19793 6/20 0.51
RXRB P28702 3/20 0.51
RXRG P48443 2/20 0.51
CYP26A1 O43174 2/20 0.47
BACE1 P56817 2/20 0.46
PTGS2 P35354 1/20 0.44
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAOB P27338 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP3A4 P08684 2/20 0.40

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
SCHEMBL7761551 1.00 RARA (0.51) RARARARBRARGRXRARXRB
SCHEMBL7756555 0.90 RXRA (0.53) RARARARBRARGRXRARXRB
SCHEMBL7756564 0.90 RXRA (0.53) RARARARBRARGRXRARXRB
SCHEMBL7761273 0.88 CYP26A1 (0.45) RARARARBRARGRXRARXRB
SCHEMBL7761560 0.88 CYP26A1 (0.45) RARARARBRARGRXRARXRB
SCHEMBL7756622 0.85 CYP26A1 (0.65) RARARARBRARGRXRARXRB
SCHEMBL7756626 0.85 CYP26A1 (0.65) RARARARBRARGRXRARXRB
SCHEMBL7882982 0.83 TTR (0.58) RARARARBRARGRXRACYP26A1
SCHEMBL7882979 0.83 TTR (0.58) RARARARBRARGRXRACYP26A1
SCHEMBL6880803 0.83 RARA (0.50) RARARARBRARGRXRACYP26A1

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