SCHEMBL8445083

SCHEMBL8445083

Cc1cc2c(cc1C(=O)Nc1ccccc1)C(C)(C)CCC2(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 8/20 0.73
CYP26B1 Q9NR63 6/20 0.73
RXRA P19793 9/20 0.56
RARA P10276 8/20 0.56
RARG P13631 8/20 0.56
RARB P10826 7/20 0.56
RXRB P28702 6/20 0.56
RXRG P48443 6/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP3A4 P08684 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
HPGD P15428 1/20 0.54
PGR P06401 2/20 0.53
ADORA3 P0DMS8 2/20 0.53

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
SCHEMBL22838114 0.84 CYP26A1 (1.00) CYP26A1CYP26B1RXRARARARARG
SCHEMBL22838086 0.83 CYP26A1 (1.00) CYP26A1CYP26B1RXRARARARARG
SCHEMBL7872150 0.82 GLA (0.59) CYP26A1CYP26B1RXRARARARARG
SCHEMBL7872151 0.82 GLA (0.59) CYP26A1CYP26B1RXRARARARARG
SCHEMBL7621355 0.81 RARA (0.82) CYP26A1CYP26B1RXRARARARARG
SCHEMBL8336184 0.81 CYP26A1 (0.56) CYP26A1CYP26B1RXRARARARARG
SCHEMBL7872160 0.78 CYP26A1 (0.51) CYP26A1CYP26B1RXRARARARARG
SCHEMBL7872162 0.78 CYP26A1 (0.51) CYP26A1CYP26B1RXRARARARARG
SCHEMBL29177155 0.78 HPGD (0.68) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL7872280 0.78 CYP26A1 (0.51) CYP26A1CYP26B1RXRARARARARG

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
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