SCHEMBL8513667

SCHEMBL8513667

CC1(C)CCC(C)(C)c2cc(C3=CC=CC(C4=CCNCC4)N3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.36
RARG P13631 5/20 0.36
RARA P10276 4/20 0.36
RXRA P19793 2/20 0.31

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
SCHEMBL8513668 0.78 HTR6 (0.31) RARBRARGRARA
SCHEMBL8514544 0.74 RARB (0.34) RARBRARGRARARXRA
Hydrochloric Acid SCHEMBL8534867 0.73 RARB (0.34) RARBRARGRARARXRA
SCHEMBL8514545 0.66 HTR2C (0.38) RARBRARGRARA
SCHEMBL9612545 0.65 TGFBR1 (0.43) RARBRARGRARA
Hydrochloric Acid SCHEMBL8534872 0.65 HTR2C (0.39) RARBRARGRARA
SCHEMBL9612753 0.65 RARA (0.53) RARBRARGRARA
SCHEMBL8511475 0.64 QDPR (0.43) RARBRARA
SCHEMBL8515364 0.63 QDPR (0.39) RARBRARGRARARXRA
SCHEMBL8515362 0.63 QDPR (0.40) RARBRARGRARARXRA

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
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO claimed