SCHEMBL7879749

SCHEMBL7879749

CC1(C)CCC(C)(C)c2cc(C#CC(=O)Oc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.72
RARG P13631 8/20 0.72
CYP26A1 O43174 6/20 0.72
RARA P10276 5/20 0.72
CYP3A4 P08684 4/20 0.72
CRABP2 P29373 1/20 0.72
CYP26B1 Q9NR63 4/20 0.59
RXRA P19793 11/20 0.59
RXRB P28702 9/20 0.59
RXRG P48443 6/20 0.59

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
SCHEMBL7879784 0.85 RARB (0.52) RARBRARGCYP26A1RARACYP3A4
SCHEMBL7715323 0.85 RARB (0.80) RARBRARGCYP26A1RARACYP3A4
SCHEMBL3302926 0.84 RARB (1.00) RARBRARGCYP26A1RARACYP3A4
SCHEMBL29353973 0.84 RARB (1.00) RARBRARGCYP26A1RARACYP3A4
SCHEMBL6373022 0.80 RARB (0.75) RARBRARGCYP26A1RARACYP3A4
SCHEMBL7882967 0.79 RARB (0.68) RARBRARGCYP26A1RARACYP3A4
SCHEMBL8686334 0.78 RARB (0.57) RARBRARGCYP26A1RARACYP3A4
SCHEMBL9165893 0.78 RXRA (0.69) RARBRARGCYP26A1RARACYP3A4
SCHEMBL6881850 0.78 RARB (0.71) RARBRARGCYP26A1RARACYP3A4
SCHEMBL7746407 0.78 RARB (0.76) RARBRARGCYP26A1RARACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US claimed
US-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed
US-5942586-A Catalyst for the polymerization of olefins, process for its preparation and its use TARGOR GMBH (DE) 1999-08-24 US disclosed
EP-0901462-A1 BI-AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1999-03-17 EP disclosed
WO-1998034909-A1 BI-AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-08-13 WO disclosed