SCHEMBL11241526

SCHEMBL11241526

CC1(C)CCC(C)(C)c2cc(CC(=O)Cc3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.60
RXRB P28702 6/20 0.60
RXRG P48443 5/20 0.60
CYP26B1 Q9NR63 8/20 0.57
CYP26A1 O43174 7/20 0.57
RARB P10826 3/20 0.51
RARG P13631 3/20 0.51
RARA P10276 3/20 0.51
PPARG P37231 2/20 0.49
CYP3A4 P08684 1/20 0.47

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
SCHEMBL11245625 0.89 RXRA (0.49) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL6148042 0.88 CYP26A1 (0.71) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8839031 0.86 RXRA (0.57) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8102850 0.83 RXRA (0.55) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL2095481 0.79 RXRA (0.57) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL23092045 0.78 PPARG (0.71) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL29605538 0.78 CYP26B1 (0.83) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL21776768 0.78 CYP26B1 (0.83) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8102425 0.78 ALDH1A1 (0.58) RXRARXRBRXRGCYP26B1CYP26A1
Zinc Ion SCHEMBL9587456 0.78 RXRA (0.49) RXRARXRBRXRGCYP26B1CYP26A1

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-4326055-A ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES HOFFMANN-LA ROCHE INC. (US) 1982-04-20 US disclosed