SCHEMBL8557385

SCHEMBL8557385

CC1(C)CCC(C)(C)c2cc(-c3ccc(CN)cc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 11/20 0.54
RARB P10826 11/20 0.54
RARG P13631 10/20 0.54
HRH3 Q9Y5N1 1/20 0.48
RXRA P19793 5/20 0.46
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
TAAR1 Q96RJ0 3/20 0.43
CYP26A1 O43174 2/20 0.42
CYP26B1 Q9NR63 1/20 0.42

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
SCHEMBL8510939 0.85 RARA (0.42) RARARARBRARGRXRARXRB
SCHEMBL8511470 0.85 RARB (0.64) RARARARBRARGHRH3RXRA
SCHEMBL9184946 0.80 ABCB1 (0.58) RARARARBRARGRXRA
SCHEMBL25637844 0.80 RARB (0.71) RARARARBRARGRXRARXRB
SCHEMBL9483603 0.79 RARB (0.58) RARARARBRARGRXRARXRB
SCHEMBL4965729 0.78 RARB (0.69) RARARARBRARGRXRARXRB
SCHEMBL8675471 0.78 MAOB (0.53)
SCHEMBL24808023 0.77 RARB (0.54) RARARARBRARGRXRARXRB
SCHEMBL24794223 0.77 RARA (0.54) RARARARBRARGRXRA
SCHEMBL5847673 0.77 RARB (0.58) RARARARBRARGRXRARXRB

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-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed