SCHEMBL9728258

SCHEMBL9728258

CCNC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.53
REN P00797 4/20 0.53
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ITGB3 P05106 1/20 0.50
ITGB1 P05556 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA5 P08648 1/20 0.50
ITGA4 P13612 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.50
F2 P00734 1/20 0.50
LTA4H P09960 1/20 0.50
MAPT P10636 1/20 0.50
PEPD P12955 1/20 0.50
ALOX15 P16050 1/20 0.50
PTGS1 P23219 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50
HRH1 P35367 1/20 0.50

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
SCHEMBL2422749 0.95 ACE (0.48) ACERENLMNAHSD17B10ITGB3
SCHEMBL2422744 0.95 ACE (0.48) ACERENLMNAHSD17B10ITGB3
SCHEMBL23793783 0.86 KMT2A (0.46) CYP2C19KDM4EF2KMT2AALDH1A1
SCHEMBL19347965 0.86 KMT2A (0.46) LMNACYP2C19F2KMT2AALDH1A1
SCHEMBL17285637 0.83 ACE (0.51) ACERENLMNAHSD17B10ITGB3
SCHEMBL9046806 0.83 NPSR1 (0.55) ACERENLMNAHSD17B10ITGB3
SCHEMBL9046814 0.83 NPSR1 (0.55) ACERENLMNAHSD17B10ITGB3
SCHEMBL6407009 0.83 ACE (0.60) ACERENLMNAHSD17B10ITGB3
SCHEMBL4728479 0.83 THRB (0.49) ACERENLMNAHSD17B10ITGB3
SCHEMBL4902901 0.82 RAB9A (0.56) ACERENLMNAHSD17B10ITGB3

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-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed