SCHEMBL7759633

SCHEMBL7759633

CC1(C)CCC(C)(C)c2cc(C(NO)c3cccc(C=CC(=O)O)c3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.56
CYP26B1 Q9NR63 1/20 0.52
CYP3A4 P08684 1/20 0.51
RARA P10276 9/20 0.49
RARB P10826 7/20 0.49
RARG P13631 7/20 0.49
RXRA P19793 6/20 0.47
RXRB P28702 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 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
SCHEMBL7756578 0.88 RXRA (0.58) CYP26A1CYP26B1CYP3A4RARARARB
SCHEMBL7756582 0.88 RXRA (0.58) CYP26A1CYP26B1CYP3A4RARARARB
SCHEMBL7889498 0.86 RXRA (0.52) CYP26A1CYP26B1CYP3A4RARARARB
SCHEMBL7756631 0.86 RXRA (0.52) CYP26A1CYP26B1CYP3A4RARARARB
SCHEMBL7760216 0.85 BACE1 (0.45) CYP26A1CYP26B1CYP3A4RARARARB
SCHEMBL7759725 0.82 CYP26A1 (0.48) CYP26A1CYP26B1CYP3A4RARARARB
SCHEMBL7900997 0.82 RARB (0.43) CYP26A1CYP26B1CYP3A4RARARARB
SCHEMBL7900994 0.82 RARB (0.43) CYP26A1CYP26B1CYP3A4RARARARB
SCHEMBL8458521 0.80 RXRA (0.66) CYP26A1CYP26B1CYP3A4RARARARB
SCHEMBL8458523 0.80 RXRA (0.66) CYP26A1CYP26B1CYP3A4RARARARB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915823-B1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CT INTERNAT DE (FR) 2001-04-18 EP claimed
EP-0915823-A1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1999-05-19 EP claimed
WO-1998022423-A1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-05-28 WO claimed
EP-0915823-B1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CT INTERNAT DE (FR) 2001-04-18 EP disclosed