SCHEMBL2724717

SCHEMBL2724717

Cc1sc(C2CCCN2C(=O)O)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 2/20 0.36
RIPK1 Q13546 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
AADAT Q8N5Z0 3/20 0.35
HSP90AA1 P07900 5/20 0.34
HSP90AB1 P08238 5/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
NOTUM Q6P988 1/20 0.34
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33

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
SCHEMBL2708134 0.86 MEN1 (0.40) NPC1RAB9APOLBCPT2CPT1A
SCHEMBL2708567 0.85 DPP4 (0.42) NPC1RAB9APOLBAADAT
SCHEMBL2707642 0.84 AADAT (0.38) NPC1RAB9APOLBCPT2CPT1A
SCHEMBL2709286 0.81 PPID (0.39) CPT2CPT1ACPT1BAADAT
SCHEMBL5648347 0.72 AADAT (0.42) NPC1RAB9ACPT2CPT1ACPT1B
SCHEMBL5648354 0.72 AADAT (0.42) NPC1RAB9ACPT2CPT1ACPT1B
SCHEMBL15270350 0.70 POLB (0.41) NPC1RAB9APOLBRIPK1CPT2
SCHEMBL2707575 0.69 PRKAB2 (0.38) NOTUM
SCHEMBL29481542 0.68 RIPK1 (0.45) NPC1RAB9ARIPK1HSP90AA1HSP90AB1
SCHEMBL5645605 0.68 TRPV1 (0.46) RAB9APOLBCPT2CPT1ACPT1B

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
EP-2447265-A1 NOVEL THIOPHENE CARBOXAMIDE DERIVATIVE AND MEDICINAL USE OF SAME Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2012-05-02 EP disclosed