SCHEMBL7872264

SCHEMBL7872264

CC1(C)CCC(C)(C)c2cc(C#CC(=O)Cl)ccc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.62
RARG P13631 10/20 0.62
RARA P10276 6/20 0.62
CYP3A4 P08684 3/20 0.62
CYP26A1 O43174 3/20 0.62
CRABP2 P29373 1/20 0.62
RXRA P19793 11/20 0.44
RXRB P28702 9/20 0.44
RXRG P48443 6/20 0.44
CYP26B1 Q9NR63 2/20 0.44

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
SCHEMBL7882967 0.86 RARB (0.68) RARBRARGRARACYP3A4CYP26A1
SCHEMBL7566725 0.79 CYP3A4 (0.56) RARBRARGRARACYP3A4CYP26A1
SCHEMBL7715323 0.79 RARB (0.80) RARBRARGRARACYP3A4CYP26A1
SCHEMBL3302926 0.77 RARB (1.00) RARBRARGRARACYP3A4CYP26A1
SCHEMBL19697334 0.77 RARB (0.78) RARBRARGRARACYP3A4CYP26A1
SCHEMBL29353973 0.77 RARB (1.00) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8686332 0.76 RARB (0.60) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8901695 0.76 RARB (0.59) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9484455 0.76 RARB (0.76) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8522445 0.76 RARB (0.59) RARBRARGRARACYP3A4CYP26A1

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-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed