SCHEMBL7072945

SCHEMBL7072945

NC(=O)CC[C@H](N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.41
▸ GSTK1 Q9Y2Q3 1/20 0.41
▸ FAP Q12884 1/20 0.38
▸ BDKRB2 P30411 1/20 0.38
▸ OPRM1 P35372 4/20 0.37
▸ OPRD1 P41143 4/20 0.37
▸ ACE P12821 4/20 0.36
▸ NAA50 Q9GZZ1 1/20 0.36
▸ NMUR2 Q9GZQ4 1/20 0.35
▸ NMUR1 Q9HB89 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ REN P00797 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PEPD P12955 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL31634209 0.84 ACE (0.41) FAPOPRM1OPRD1ACENAA50
SCHEMBL30353946 0.84 ACE (0.41) FAPACENAA50RENACE2
SCHEMBL6806059 0.83 PTGS1 (0.46) PTGS1GSTK1FAPBDKRB2OPRM1
SCHEMBL6806049 0.83 PTGS1 (0.46) PTGS1GSTK1FAPBDKRB2OPRM1
SCHEMBL30170491 0.82 NAA50 (0.46) FAPOPRM1OPRD1NAA50REN
SCHEMBL29689560 0.82 ACE (0.47) PTGS1FAPACEKDM4EF2
SCHEMBL30905706 0.81 ACE (0.43) PTGS1GSTK1FAPACEKDM4E
SCHEMBL7067786 0.80 NAA50 (0.35) PTGS1GSTK1FAPBDKRB2OPRM1
SCHEMBL7067781 0.80 NAA50 (0.35) PTGS1GSTK1FAPBDKRB2OPRM1
SCHEMBL30905703 0.79 ACE (0.44) PTGS1ACEKDM4EF2REN

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
WO-2003055448-A2 ANTIFUNGAL COMPOSITIONS ACHILLION PHARMACEUTICALS, INC. (US) 2003-07-10 — — WO claimed
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