SCHEMBL7470844

SCHEMBL7470844

CCOC(=O)c1ccc(N2CCCC(O)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.50
HTT P42858 3/20 0.50
TDP1 Q9NUW8 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HSP90AA1 P07900 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
FDFT1 P37268 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL7658812 0.92 TDP1 (0.54) ALDH1A1HPGDHTTTDP1NPSR1
SCHEMBL382520 0.92 TDP1 (0.54) ALDH1A1HPGDHTTTDP1NPSR1
SCHEMBL14637591 0.92 TDP1 (0.54) ALDH1A1HPGDHTTTDP1NPSR1
SCHEMBL1096771 0.90 TDP1 (0.55) ALDH1A1HPGDHTTTDP1NPSR1
SCHEMBL14331881 0.86 HTT (0.58) ALDH1A1HPGDHTTTDP1NPSR1
SCHEMBL7051582 0.86 DPP4 (0.56) ALDH1A1HPGDHTTTDP1NPSR1
SCHEMBL7468160 0.86 DPP4 (0.56) ALDH1A1HPGDHTTTDP1NPSR1
SCHEMBL21135449 0.85 ALDH1A1 (0.48) ALDH1A1HPGDHTTTDP1NPSR1
SCHEMBL21135497 0.85 ALDH1A1 (0.48) ALDH1A1HPGDHTTTDP1NPSR1
SCHEMBL21135456 0.85 ALDH1A1 (0.48) ALDH1A1HPGDHTTTDP1NPSR1

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-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed