SCHEMBL2364553

SCHEMBL2364553

CCOC(=O)CCNC(=O)Cc1ccccc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
CNR1 P21554 4/20 0.43
EPHX2 P34913 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GCG P01275 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2362953 0.84 HPGD (0.52) HPGDCNR1NPC1RAB9AMEN1
SCHEMBL8744815 0.73 GAA (0.56) NPC1RAB9AALDH1A1KDM4EHTT
SCHEMBL11167030 0.72 POLB (0.58) HPGDCNR1EPHX2MAPTALDH1A1
SCHEMBL9289218 0.71 CSNK2A2 (0.66) HPGDCNR1NPC1RAB9AALDH1A1
SCHEMBL23792060 0.71 ALDH1A1 (0.51) HPGDNPC1RAB9AMAPTALDH1A1
SCHEMBL2394244 0.70 CSNK2A2 (0.47) CNR1ALDH1A1HTTMEN1KMT2A
SCHEMBL9890719 0.70 KMT2A (0.49) HPGDNPC1RAB9ATSHRMAPT
SCHEMBL5007251 0.70 PTGER1 (0.47) HPGDNPC1TSHRMAPTALDH1A1
SCHEMBL9833523 0.70 MAPT (0.51) HPGDRAB9AMAPTALDH1A1KDM4E
SCHEMBL1064811 0.69 EPHX2 (0.79) HPGDEPHX2NPC1ALDH1A1HSD17B10

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-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed