SCHEMBL7876492

SCHEMBL7876492

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.64
RXRB P28702 8/20 0.64
RXRG P48443 6/20 0.64
CYP26A1 O43174 7/20 0.56
CYP26B1 Q9NR63 5/20 0.56
CYP3A4 P08684 4/20 0.56
RARB P10826 7/20 0.56
RARG P13631 7/20 0.56
RARA P10276 5/20 0.56
KMT2A Q03164 1/20 0.52
CRABP2 P29373 1/20 0.51

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
SCHEMBL8839076 0.88 RXRA (0.71) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL9208986 0.84 RXRA (0.78) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL8839146 0.82 RXRA (0.67) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL6147923 0.82 RXRA (0.67) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL8676840 0.80 RXRB (0.71) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL5083941 0.79 RXRA (0.66) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL21776768 0.79 CYP26B1 (0.83) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL29605538 0.79 CYP26B1 (0.83) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL9165893 0.78 RXRA (0.69) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL8674842 0.77 RXRA (0.68) RXRARXRBRXRGCYP26A1CYP26B1

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 2 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