SCHEMBL9869267

SCHEMBL9869267

CC1(C)CCC(C)(C)c2cc(SC(=O)c3ccc(C(=O)O)cc3)c(CBr)cc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.53
RXRB P28702 11/20 0.52
RXRG P48443 9/20 0.52
RARB P10826 6/20 0.49
RARG P13631 6/20 0.49
RARA P10276 4/20 0.47
CYP26A1 O43174 1/20 0.46
CYP3A4 P08684 1/20 0.46
CRABP2 P29373 1/20 0.46

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
SCHEMBL8311698 0.84 RXRA (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL9867927 0.82 RXRA (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL9868551 0.75 RXRA (0.55) RXRARXRBRXRGRARBRARG
SCHEMBL7719786 0.74 RXRA (0.72) RXRARXRBRXRGRARBRARG
SCHEMBL8839257 0.74 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL8460878 0.72 RXRA (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL8839140 0.72 RXRA (0.65) RXRARXRBRXRGRARBRARG
SCHEMBL7716684 0.72 RXRA (0.67) RXRARXRBRXRGRARBRARG
SCHEMBL8312104 0.71 RXRA (0.57) RXRARXRBRXRGRARBRARG
SCHEMBL1072441 0.69 RXRA (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE33533-E Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1991-02-05 US disclosed
US-4874747-A DERMATOLOGY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1989-10-17 US disclosed