SCHEMBL7877342

SCHEMBL7877342

O=C(O)C[C@H](Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.67
MMP2 P08253 2/20 0.60
MMP9 P14780 2/20 0.60
MMP12 P39900 2/20 0.60
CPA1 P15085 2/20 0.55
CPB1 P15086 1/20 0.55
CPA3 P15088 1/20 0.55
CPB2 Q96IY4 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
FOLH1 Q04609 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL7877341 1.00 KMO (0.67) KMOMMP2MMP9MMP12CPA1
SCHEMBL728129 1.00 KMO (0.67) KMOMMP2MMP9MMP12CPA1
SCHEMBL728320 0.80 KMO (1.00) KMOCPA1CPB1CPA3CPB2
SCHEMBL3667472 0.80 KMO (1.00) KMOCPA1CPB1CPA3CPB2
SCHEMBL727440 0.80 KMO (1.00) KMOCPA1CPB1CPA3CPB2
SCHEMBL12350244 0.78 KMO (0.54) KMOMEN1KMT2APPARGPPARA
SCHEMBL10778650 0.77 KMO (0.63) KMO
SCHEMBL3670804 0.77 KMO (0.48) KMO
SCHEMBL726890 0.77 KMO (0.48) KMO
SCHEMBL728166 0.77 KMO (0.48) KMO

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-6323240-B1 HALOGENATED DERIVATIVES AS ENZYME INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 2001-11-27 US disclosed