SCHEMBL8748608

SCHEMBL8748608

CC1(C)CCC(C)(C)c2cc(C(N)C(=O)Nc3ccc(C(=O)O)s3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.46
RXRB P28702 8/20 0.46
RARB P10826 14/20 0.46
RARG P13631 14/20 0.46
RARA P10276 11/20 0.46
RXRG P48443 7/20 0.46
CYP26A1 O43174 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP26B1 Q9NR63 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TBXA2R P21731 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
SCHEMBL8100714 0.91 RARB (0.40) RXRARXRBRARBRARGRARA
SCHEMBL8748606 0.80 RARB (0.40) RXRARXRBRARBRARGRARA
SCHEMBL8093046 0.78 RARB (0.64) RXRARXRBRARBRARGRARA
SCHEMBL9596391 0.78 RARB (0.63) RXRARXRBRARBRARGRARA
SCHEMBL8556007 0.76 RARB (0.50) RXRARXRBRARBRARGRARA
SCHEMBL8748506 0.76 RARB (0.47) RXRARXRBRARBRARGRARA
SCHEMBL8103042 0.75 RARB (0.47) RXRARXRBRARBRARGRARA
SCHEMBL8102601 0.75 RARG (0.49) RXRARXRBRARBRARGRARA
SCHEMBL8758241 0.74 RARB (0.46) RXRARXRBRARBRARGRARA
SCHEMBL8748945 0.74 RXRA (0.45) RXRARXRBRARBRARGRARA

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-0661260-B1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1997-03-12 EP claimed
EP-0661260-A1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP claimed
EP-0661260-B1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1997-03-12 EP disclosed
EP-0661260-A1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP disclosed