SCHEMBL7871229

SCHEMBL7871229

CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(OCC(O)CO)cc4)ccc3C(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARG P13631 17/20 0.53
RARB P10826 12/20 0.53
RARA P10276 10/20 0.53
RXRA P19793 3/20 0.50
CYP26A1 O43174 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP26B1 Q9NR63 2/20 0.50

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
SCHEMBL5846043 0.83 RARG (0.73) RARGRARBRARARXRACYP26A1
SCHEMBL5846340 0.79 RARB (0.77) RARGRARBRARARXRA
SCHEMBL5699563 0.78 RARG (0.54) RARGRARBRARARXRA
SCHEMBL5699607 0.78 RARG (0.50) RARGRARBRARARXRA
SCHEMBL5847739 0.76 RARG (0.58) RARGRARBRARARXRA
SCHEMBL10549628 0.76 RARG (0.57) RARGRARBRARARXRA
SCHEMBL498280 0.75 RARB (0.76) RARGRARBRARARXRA
SCHEMBL9551739 0.74 RARB (0.69) RARGRARBRARARXRACYP26A1
SCHEMBL7265393 0.72 RARG (0.63) RARGRARBRARARXRA
SCHEMBL2917289 0.72 RARG (0.56) RARGRARBRARARXRA

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-6316009-B1 FOR THERAPY OF DERMATOLOGICAL COMPLAINTS ASSOCIATED WITH A KERATINIZATION DISORDER, AND FOR COMBATING AGEING OF THE SKIN GALDERMA RESEARCH & DEVELOPMENT (FR) 2001-11-13 US disclosed