SCHEMBL7880477

SCHEMBL7880477

CC1(C)CCC(C)(C)c2cc(C3CC3C(=O)Oc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.56
RXRB P28702 8/20 0.56
RXRG P48443 6/20 0.56
RARB P10826 11/20 0.52
RARG P13631 11/20 0.52
RARA P10276 8/20 0.52
CYP26A1 O43174 6/20 0.51
CYP3A4 P08684 4/20 0.51
CYP26B1 Q9NR63 3/20 0.51
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GMNN O75496 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL7880475 0.82 CYP3A4 (0.40) RXRARXRBRXRGRARBRARG
SCHEMBL7872167 0.81 RARB (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL7878338 0.80 RXRA (0.49) RXRARXRBRXRGRARBRARG
Hydrochloric Acid SCHEMBL7878396 0.79 RXRA (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL7878388 0.77 RXRA (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL9165893 0.76 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL5084209 0.74 RXRA (0.66) RXRARXRBRXRGRARBRARG
SCHEMBL8973028 0.74 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL9175151 0.73 RXRA (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL7720657 0.73 RXRA (1.00) RXRARXRBRXRGRARBRARG

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
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
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