SCHEMBL2725263

SCHEMBL2725263

Cc1csc([C@H]2CCCN2C(=O)c2cc(C(=O)O)cc(=O)n2C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.42
TRPV1 Q8NER1 3/20 0.39
CPT2 P23786 2/20 0.39
CPT1A P50416 2/20 0.39
CPT1B Q92523 1/20 0.39
HSD11B1 P28845 2/20 0.38
POLB P06746 1/20 0.37
BAZ2A Q9UIF9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCD O00767 2/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
SCD5 Q86SK9 1/20 0.35
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2727029 0.88 HSD11B1 (0.37) NAA50TRPV1CPT2CPT1ACPT1B
SCHEMBL2726484 0.85 NAA50 (0.39) NAA50TRPV1CPT2CPT1ACPT1B
SCHEMBL2726428 0.85 NAA50 (0.39) NAA50TRPV1CPT2CPT1ACPT1B
SCHEMBL6466508 0.82 TRPV1 (0.40) NAA50TRPV1CPT2CPT1ACPT1B
SCHEMBL166998 0.82 TRPV1 (0.43) NAA50TRPV1CPT2CPT1ACPT1B
SCHEMBL166997 0.82 TRPV1 (0.43) NAA50TRPV1CPT2CPT1ACPT1B
SCHEMBL7872430 0.81 TRPV1 (0.45) NAA50TRPV1CPT2CPT1ACPT1B
SCHEMBL6468509 0.81 TRPV1 (0.40) NAA50TRPV1CPT2CPT1ACPT1B
SCHEMBL2713636 0.81 TRPV1 (0.40) NAA50TRPV1CPT2CPT1ACPT1B
SCHEMBL6466401 0.81 TRPV1 (0.40) NAA50TRPV1CPT2CPT1ACPT1B

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-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed