SCHEMBL7889498

SCHEMBL7889498

Cc1cc2c(cc1C(NO)c1cccc(/C=C/C(=O)O)c1)C(C)(C)CCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.52
CYP26A1 O43174 2/20 0.47
HNF4A P41235 2/20 0.46
CYP26B1 Q9NR63 1/20 0.44
CYP3A4 P08684 1/20 0.43
RARA P10276 5/20 0.42
RARG P13631 5/20 0.42
RARB P10826 4/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL7756631 1.00 RXRA (0.52) RXRACYP26A1HNF4ACYP26B1CYP3A4
SCHEMBL7889481 0.87 BACE1 (0.44) RXRAHNF4ACYP3A4RARARARG
SCHEMBL7761238 0.87 RXRA (0.58) RXRACYP26A1HNF4ACYP26B1CYP3A4
SCHEMBL7760222 0.87 RXRA (0.58) RXRACYP26A1HNF4ACYP26B1CYP3A4
SCHEMBL7759633 0.86 CYP26A1 (0.56) RXRACYP26A1CYP26B1CYP3A4RARA
SCHEMBL7759870 0.82 RXRA (0.47) RXRACYP26A1HNF4ACYP26B1CYP3A4
SCHEMBL7756578 0.77 RXRA (0.58) RXRACYP26A1CYP26B1CYP3A4RARA
SCHEMBL7756582 0.77 RXRA (0.58) RXRACYP26A1CYP26B1CYP3A4RARA
SCHEMBL7759725 0.75 CYP26A1 (0.48) RXRACYP26A1CYP26B1CYP3A4RARA
SCHEMBL6874738 0.75 RXRA (0.67) RXRACYP26A1CYP26B1CYP3A4RARA

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 2 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
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