SCHEMBL7879849

SCHEMBL7879849

CC1(C)CCC(C)(C)c2cc(/C=C/C(=O)Nc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.70
RARG P13631 14/20 0.70
RARA P10276 12/20 0.70
CYP26A1 O43174 5/20 0.64
CYP3A4 P08684 4/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
PGR P06401 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
TBXA2R P21731 1/20 0.60
BLVRB P30043 1/20 0.60
RXRA P19793 10/20 0.59
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56

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
SCHEMBL7879855 1.00 RARB (0.70) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7876455 0.88 RARA (0.54) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7876451 0.88 RARA (0.54) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1615595 0.83 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1616018 0.83 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1615597 0.83 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL14425237 0.83 MAPT (0.48) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7876428 0.81 RARB (0.74) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7876430 0.81 RARB (0.74) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7882894 0.79 TRPA1 (0.61) RARBRARGRARACYP3A4MEN1

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-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 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