SCHEMBL7732452

SCHEMBL7732452

NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)C(O)c1nc2cc(Cl)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
METAP2 P50579 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CETP P11597 3/20 0.37
XDH P47989 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
MASP2 O00187 1/20 0.36
F2 P00734 1/20 0.36
HDAC1 Q13547 1/20 0.36
MMP2 P08253 1/20 0.36
CASR P41180 1/20 0.36
CTSC P53634 2/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL7733845 0.95 LMNA (0.39) LMNAKMT2AMETAP2TP53SMN1; SMN2
SCHEMBL7730106 0.88 CTSC (0.38) METAP2TP53SMN1; SMN2MMP2CTSC
SCHEMBL7723243 0.87 CTSL (0.43) METAP2MMP2CTSCERAP2ERAP1
SCHEMBL7733848 0.85 LMNA (0.38) LMNAKMT2ATP53SMN1; SMN2CETP
Trifluoroacetic Acid SCHEMBL7731111 0.84 MMP2 (0.38) HDAC8HDAC1MMP2CTSCERAP2
Trifluoroacetic Acid SCHEMBL7732038 0.84 CTSL (0.41) MMP2CTSCERAP2ERAP1LNPEP
Trifluoroacetic Acid SCHEMBL7734181 0.83 OPRK1 (0.37) METAP2MMP2CTSCERAP2ERAP1
SCHEMBL7723017 0.80 LMNA (0.45) LMNAKMT2ATP53SMN1; SMN2CETP
SCHEMBL7858147 0.78 XDH (0.46) LMNAKMT2AMETAP2TP53SMN1; SMN2
SCHEMBL7736136 0.78 XDH (0.46) LMNAKMT2AMETAP2TP53SMN1; SMN2

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
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed