SCHEMBL8515330

SCHEMBL8515330

CC1(C)CCC(C)(C)c2cc(-c3ccnc(-c4ccc(C5(OC(N)=O)CCC5)cc4)n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.46
RARA P10276 10/20 0.46
RARG P13631 10/20 0.41
RXRA P19793 6/20 0.38
MAP4K4 O95819 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PRNP P04156 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 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
SCHEMBL8511696 0.80 RARB (0.44) RARBRARARARGRXRAMEN1
Hydrochloric Acid SCHEMBL8515237 0.79 RARB (0.44) RARBRARARARGRXRAMEN1
SCHEMBL8515254 0.77 RARB (0.51) RARBRARARARGRXRAMAP4K4
SCHEMBL31060783 0.77 RARB (0.51) RARBRARARARGRXRAMAP4K4
SCHEMBL8514253 0.75 NPC1 (0.55) RARBRARARARGRXRAABCB1
SCHEMBL9612772 0.74 RARB (0.47) RARBRARARARGRXRAABCB1
SCHEMBL8514121 0.71 RARB (0.45) RARBRARARARGRXRAABCB1
SCHEMBL8511483 0.71 RARB (0.46) RARBRARARARGRXRAMEN1
SCHEMBL8511400 0.69 RARB (0.47) RARBRARARARGRXRAABCB1
Trifluoroacetic Acid SCHEMBL8513225 0.69 RARB (0.45) RARBRARARARGRXRAABCB1

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 disclosed