SCHEMBL7348490

SCHEMBL7348490

CC(C)CC(CCCCc1ccccc1)N(O)C(=O)C(C(N)=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 6/20 0.43
ERAP1 Q9NZ08 6/20 0.43
IL1RN P18510 2/20 0.43
ALOX5 P09917 3/20 0.42
LNPEP Q9UIQ6 4/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL7346885 0.92 ERAP2 (0.46) ERAP2ERAP1IL1RNALOX5LNPEP
SCHEMBL7355894 0.86 ERAP2 (0.46) ERAP2ERAP1IL1RNALOX5LNPEP
SCHEMBL7355286 0.78 ERAP2 (0.46) ERAP2ERAP1IL1RNALOX5LNPEP
SCHEMBL7358090 0.78 ERAP2 (0.46) ERAP2ERAP1IL1RNALOX5LNPEP
SCHEMBL7356063 0.74 ALOX5 (0.49) ALOX5EPHX1
SCHEMBL3928178 0.71 LTB4R (0.52) ALDH1A1HPGDKMT2A
SCHEMBL7357801 0.70 MMP8 (0.45) ERAP2ERAP1IL1RNALOX5ALDH1A1
SCHEMBL7361196 0.69 ALOX5 (0.50) ERAP2ERAP1IL1RNALOX5HPGD
SCHEMBL7359568 0.68 CSNK1E (0.43) HPGD
Bicarbonate SCHEMBL28245804 0.68 LMNA (0.58) ALOX5ALDH1A1HPGDKMT2A

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-1009736-A1 MALONIC ACID BASED MATRIX METALLOPROTEINASE INHIBITORS Roche Diagnostics GmbH (DE) 2000-06-21 EP disclosed
WO-1999011608-A1 MALONIC ACID BASED MATRIX METALLOPROTEINASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 1999-03-11 WO disclosed