SCHEMBL8557384

SCHEMBL8557384

CC1(C)CCC(C)(C)c2cc(-c3ccccc3CN)ccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.55
RARG P13631 12/20 0.55
RXRA P19793 3/20 0.55
DPP4 P27487 2/20 0.47
RARA P10276 13/20 0.45
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
HSD17B3 P37058 1/20 0.39
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL7565094 0.85 RARB (0.62) RARBRARGRXRARARAHSD17B3
SCHEMBL7794229 0.79 RARB (0.75) RARBRARGRXRARARA
SCHEMBL24794240 0.76 RARG (0.58) RARBRARGRXRARARAPDK2
SCHEMBL7793710 0.76 RARB (0.62) RARBRARGRXRARARA
SCHEMBL24807991 0.76 RARB (0.58) RARBRARGRXRARARA
SCHEMBL7877006 0.75 RARB (0.64) RARBRARGRXRARARAPDK2
SCHEMBL8557385 0.74 RARA (0.54) RARBRARGRXRARARA
SCHEMBL7789708 0.74 RARG (0.59) RARBRARGRXRARARAPDK2
SCHEMBL5045191 0.74 DPP4 (0.57) DPP4NOS3NOS1NOS2HSD17B3
SCHEMBL4965729 0.73 RARB (0.69) RARBRARGRXRARARA

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