SCHEMBL8748442

SCHEMBL8748442

O=C(Cc1ccccc1)Nc1ccc(C(=O)O)c(O)c1.[Zn]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
PKM P14618 1/20 0.60
EPHX2 P34913 1/20 0.58
MCL1 Q07820 1/20 0.56
MEN1 O00255 3/20 0.56
PDK1 Q15118 1/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL1130032 0.98 KMT2A (0.61) KMT2APKMEPHX2MCL1MEN1
SCHEMBL6009641 0.87 SIRT2 (0.61) KMT2AEPHX2MCL1MEN1PDK1
SCHEMBL1129693 0.87 KDM4C (0.61) KMT2AEPHX2MCL1MEN1ALDH1A1
SCHEMBL14088983 0.84 KMT2A (0.58) KMT2APKMMEN1ALDH1A1GAA
SCHEMBL1993952 0.84 GAA (0.66) KMT2APKMMCL1ALDH1A1LMNA
SCHEMBL2004145 0.82 TRPV1 (0.66) KMT2APKMMCL1MEN1ALDH1A1
SCHEMBL13593266 0.81 KMT2A (0.61) KMT2APKMEPHX2MEN1ALDH1A1
SCHEMBL1997850 0.81 PTPRC (0.60) KMT2APKMMEN1ALDH1A1RAB9A
SCHEMBL9525046 0.81 EPHX2 (0.60) KMT2AEPHX2MEN1ALDH1A1LMNA
SCHEMBL16221621 0.80 KMT2A (0.59) KMT2APKMEPHX2MCL1MEN1

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
EP-0534257-B1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS (JP) 1997-03-12 EP disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed