SCHEMBL8556502

SCHEMBL8556502

CC1(C)CCC(C)(C)c2cc(N(CC(=O)c3ccccc3)C(=O)CN)ccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.48
RXRB P28702 15/20 0.48
RXRG P48443 14/20 0.48
CYP26B1 Q9NR63 2/20 0.42
RARB P10826 5/20 0.42
RARG P13631 5/20 0.42
CYP26A1 O43174 2/20 0.40
CYP3A4 P08684 1/20 0.40
RARA P10276 2/20 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
SCHEMBL8558866 0.84 RXRA (0.48) RXRARXRBRXRGCYP26B1RARB
SCHEMBL8555859 0.80 RXRA (0.44) RXRARXRBRXRGCYP26B1RARB
SCHEMBL8560346 0.77 RXRA (0.46) RXRARXRBRXRGCYP26B1RARB
SCHEMBL8093051 0.75 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL8556010 0.74 RXRA (0.49) RXRARXRBRXRGCYP26B1RARB
SCHEMBL8102921 0.72 RXRA (0.51) RXRARXRBRXRGCYP26B1RARB
SCHEMBL8102771 0.72 ALDH1A1 (0.51) RXRARXRBRXRGCYP26B1RARB
SCHEMBL8103047 0.72 RXRA (0.47) RXRARXRBRXRGCYP26B1RARB
SCHEMBL8556269 0.71 CYP26B1 (0.46) RXRARXRBRXRGCYP26B1RARB
SCHEMBL9446455 0.71 RXRA (0.52) RXRARXRBRXRGCYP26B1RARB

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-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed