SCHEMBL7876780

SCHEMBL7876780

C=CCOC(=O)c1ccc(N(C(=O)C=NOC(O)CC)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.41
RXRB P28702 10/20 0.41
RXRG P48443 10/20 0.41
RARB P10826 3/20 0.35
RARG P13631 3/20 0.35
RARA P10276 2/20 0.35
CYP3A4 P08684 4/20 0.34
CYP26A1 O43174 3/20 0.34
CYP26B1 Q9NR63 2/20 0.33

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
SCHEMBL8102470 0.88 RXRA (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL7883321 0.87 RXRA (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL7876781 0.86 RXRA (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL8839361 0.81 RXRA (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL8839144 0.79 RXRA (0.47) RXRARXRBRXRGRARBRARG
SCHEMBL8839151 0.78 RXRA (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL7881559 0.78 RXRA (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL7876892 0.78 RXRA (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL8345657 0.77 RXRA (0.41) RXRARXRBRXRGRARBRARG
SCHEMBL8100803 0.77 RXRA (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6171603-B1 TREATING SKIN, HAIR, CARDIOVASCULAR, AUTOIMMUNE AND VISION DISORDERS; ADMINISTERING AS ANTICARCINOGENIC, ANTIDEPRESSANT,ANTIINFLAMMATORY, AND ANTIACNE AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-01-09 US disclosed