SCHEMBL17244052

SCHEMBL17244052

CCCCCCCCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 7/20 0.65
▸ ERAP2 Q6P179 2/20 0.64
▸ ACE P12821 2/20 0.61
▸ MMP2 P08253 3/20 0.61
▸ MMP8 P22894 3/20 0.61
▸ MMP1 P03956 2/20 0.61
▸ MMP7 P09237 1/20 0.59
▸ MMP9 P14780 1/20 0.58
▸ PPARG P37231 1/20 0.57
▸ IL1RN P18510 1/20 0.57
▸ ERAP1 Q9NZ08 1/20 0.57

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
SCHEMBL30496933 1.00 ECE1 (0.65) ECE1ERAP2ACEMMP2MMP8
SCHEMBL29640305 1.00 ECE1 (0.65) ECE1ERAP2ACEMMP2MMP8
SCHEMBL29640357 1.00 ECE1 (0.65) ECE1ERAP2ACEMMP2MMP8
SCHEMBL30496932 1.00 ECE1 (0.65) ECE1ERAP2ACEMMP2MMP8
SCHEMBL15648656 0.93 ECE1 (0.71) ECE1ERAP2ACEIL1RNERAP1
SCHEMBL28478871 0.93 ACE (0.64) ECE1ACEMMP2MMP8MMP9
SCHEMBL15692405 0.93 ECE1 (0.71) ECE1ERAP2ACEIL1RNERAP1
SCHEMBL28518121 0.92 MMP2 (0.59) ECE1ERAP2MMP2MMP8MMP1
SCHEMBL28518120 0.92 MMP2 (0.59) ECE1ERAP2MMP2MMP8MMP1
SCHEMBL25264480 0.91 MEN1 (0.64) ACEPPARG

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-9180201-B2 Method for preparing lipopeptide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-10 — — US disclosed
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