SCHEMBL7733848

SCHEMBL7733848

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CETP P11597 3/20 0.34
MASP2 O00187 1/20 0.34
F2 P00734 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RY14 Q15391 4/20 0.33
XDH P47989 1/20 0.33
LNPEP Q9UIQ6 3/20 0.32
CASR P41180 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ERAP2 Q6P179 2/20 0.32
ERAP1 Q9NZ08 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7731113 0.91 PRSS8 (0.34) XDHLNPEPHDAC1HDAC8ERAP2
SCHEMBL7732041 0.90 CTSL (0.39) LNPEPERAP2ERAP1NPC1RAB9A
SCHEMBL7734185 0.89 LNPEP (0.34) LNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7733845 0.87 LMNA (0.39) LMNAKMT2ACETPMASP2F2
SCHEMBL7732452 0.85 LMNA (0.42) LMNAKMT2ACETPMASP2F2
Trifluoroacetic Acid SCHEMBL7731111 0.77 MMP2 (0.38) LNPEPHDAC1HDAC8ERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7732038 0.77 CTSL (0.41) LNPEPERAP2ERAP1NPC1RAB9A
SCHEMBL7723159 0.77 HDAC3 (0.35) LNPEPHDAC1HDAC8
SCHEMBL7734127 0.77 CYP3A4 (0.38) LMNAKMT2ALNPEPHDAC1HDAC8
Trifluoroacetic Acid SCHEMBL7734181 0.76 OPRK1 (0.37) LNPEPERAP2ERAP1

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-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed