SCHEMBL7022345

SCHEMBL7022345

Cc1cc2c(cc1C(=CC(=O)Nc1ccc(O)cc1)c1ccccc1)C(C)(C)CCC2(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.51
CYP26A1 O43174 6/20 0.50
CYP26B1 Q9NR63 3/20 0.50
RXRA P19793 12/20 0.47
RXRB P28702 8/20 0.47
RXRG P48443 7/20 0.47
RARA P10276 5/20 0.47
RARB P10826 5/20 0.47
RARG P13631 5/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PGR P06401 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TBXA2R P21731 2/20 0.46
ABCB11 O95342 1/20 0.46
ESR1 P03372 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL7023941 0.82 RXRA (0.57) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL1074782 0.76 RXRA (0.62) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL7121488 0.75 MEN1 (0.45) DEGS1CYP26A1CYP26B1RXRARXRB
SCHEMBL8445083 0.75 CYP26A1 (0.73) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL8336184 0.75 CYP26A1 (0.56) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL727916 0.74 RXRA (0.70) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL7761497 0.73 MAOA (0.48) DEGS1RXRARARBMEN1KMT2A
SCHEMBL7761494 0.73 MAOA (0.48) DEGS1RXRARARBMEN1KMT2A
SCHEMBL292500 0.73 RXRA (0.83) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL7029044 0.73 RXRA (0.56) CYP26A1CYP26B1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP claimed
EP-0832081-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-04-01 EP claimed
WO-1997033881-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 WO claimed
EP-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP disclosed
EP-0832081-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-04-01 EP disclosed
WO-1997033881-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 WO disclosed