SCHEMBL16673178

SCHEMBL16673178

COc1ccc(CC(N)CC(=O)N[C@H](Cc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ LDHA P00338 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ IL2 P60568 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ ITGB3 P05106 4/20 0.40
▸ ITGA2B P08514 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 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
SCHEMBL16673180 1.00 CA2 (0.43) CA2KMT2AFPR2LDHAMMP1
SCHEMBL4170394 0.88 FPR2 (0.39) CA2KMT2AFPR2MMP1ALB
SCHEMBL4170401 0.88 FPR2 (0.39) CA2KMT2AFPR2MMP1ALB
SCHEMBL16673188 0.88 ACE (0.47) CA2ALBIL2
SCHEMBL16673181 0.88 ACE (0.47) CA2ALBIL2
SCHEMBL16673455 0.87 ACE (0.46) ITGB3ITGA2B
SCHEMBL4177756 0.87 ACE (0.46) ITGB3ITGA2B
SCHEMBL1310695 0.82 KMT2A (0.49) CA2KMT2AFPR2LDHAALB
SCHEMBL1310698 0.82 KMT2A (0.49) CA2KMT2AFPR2LDHAALB
SCHEMBL9830940 0.81 ATM (0.53) PTPN1ITGB3ITGA2BALDH1A1

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
EP-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — EP claimed
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