SCHEMBL5520876

SCHEMBL5520876

CCC(=O)N[C@H](C(N)=O)C(C)CC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 7/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.35
CNR2 P34972 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
PTPN1 P18031 1/20 0.33
FPR2 P25090 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL5520878 1.00 ENPEP (0.46) ENPEPALDH1A1CYP2C9L3MBTL1HTT
SCHEMBL7425789 0.86 ENPEP (0.44) ENPEPALDH1A1L3MBTL1HTTCNR2
SCHEMBL24372117 0.85 KMT2A (0.40) ENPEPALDH1A1L3MBTL1HTTKDM4E
SCHEMBL14344719 0.85 ENPEP (0.43) ENPEPALDH1A1L3MBTL1HTTCNR2
SCHEMBL4768861 0.85 ENPEP (0.43) ENPEPALDH1A1CA2CA1
SCHEMBL4768868 0.85 ENPEP (0.43) ENPEPALDH1A1CA2CA1
SCHEMBL20385795 0.83 CYP2C9 (0.43) ALDH1A1CYP2C9CNR2MEN1KMT2A
SCHEMBL16310594 0.83 CYP2C9 (0.43) ALDH1A1CYP2C9CNR2MEN1KMT2A
SCHEMBL19933158 0.83 CYP2C9 (0.43) ALDH1A1CYP2C9CNR2MEN1KMT2A
SCHEMBL17742765 0.83 ENPEP (0.43) ENPEPALDH1A1L3MBTL1HTTCNR2

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-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed