SCHEMBL7752202

SCHEMBL7752202

COC(=O)c1ccc(CNc2cc(C(=O)O)ccc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
LOXL2 Q9Y4K0 1/20 0.49
LNPEP Q9UIQ6 6/20 0.48
PTGER4 P35408 1/20 0.48
PPM1D O15297 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
PLEC Q15149 1/20 0.47
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 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
SCHEMBL23286785 0.88 CA1 (0.61) CA1CA2LOXL2LNPEPALDH1A1
SCHEMBL16042130 0.85 CA1 (0.50) CA1CA2LOXL2LNPEPALDH1A1
SCHEMBL7871463 0.85 HDAC1 (0.56) CA1CA2LNPEPKMT2AALDH1A1
SCHEMBL13017388 0.82 CA1 (0.53) CA1CA2LOXL2LNPEPMEN1
SCHEMBL7567524 0.82 CA1 (0.50) CA1CA2LOXL2PPM1DL3MBTL1
SCHEMBL5363438 0.81 CA1 (0.51) CA1CA2LOXL2LNPEPKMT2A
SCHEMBL7751013 0.80 MAPK8 (0.44) CA1CA2LOXL2LNPEPALDH1A1
SCHEMBL7752260 0.79 MAPK8 (0.45) CA1CA2LNPEPMEN1KMT2A
SCHEMBL23286843 0.79 LNPEP (0.46) CA1CA2LOXL2LNPEPALDH1A1
SCHEMBL2885615 0.78 CA1 (0.51) CA1CA2LOXL2LNPEPPTGER4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242445-B1 CURATIVE EFFECTS FOR CARDIAC AND NEPHRIC DISEASES, ALTHOUGH HAVING LITTLE ACTION ON BLOOD-PRESSURE. KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-06-05 US disclosed
EP-1069113-A1 BENZIMIDAZOLE DERIVATIVE Kureha Chemical Industry Co., Ltd. (JP) 2001-01-17 EP disclosed