SCHEMBL7037005

SCHEMBL7037005

CC(=O)N[C@@H](Cc1cnc2ccccc2c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
MMP9 P14780 2/20 0.51
NTSR1 P30989 1/20 0.51
MMP2 P08253 1/20 0.51
MMP8 P22894 1/20 0.51
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
MMP1 P03956 1/20 0.47
FCER2 P06734 1/20 0.47
MMP3 P08254 1/20 0.47
TPH1 P17752 1/20 0.47
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
MGAM O43451 1/20 0.44

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
SCHEMBL7037002 1.00 ACACB (0.53) ACACBMMP9NTSR1MMP2MMP8
SCHEMBL31369492 0.87 MMP9 (0.53) ACACBMMP9NTSR1MMP2MMP8
SCHEMBL31688534 0.87 MMP9 (0.53) ACACBMMP9NTSR1MMP2MMP8
SCHEMBL5782434 0.84 ACACB (0.57) ACACBFCER2LMNAPPARGMME
SCHEMBL31407825 0.83 ACE (0.58) MMP9MMP1FCER2MMP3PPARG
SCHEMBL7857022 0.83 ACE (0.58) MMP9MMP1FCER2MMP3PPARG
SCHEMBL9743160 0.83 ACE (0.58) MMP9MMP1FCER2MMP3PPARG
SCHEMBL2638376 0.81 ACACB (0.55) ACACBMMP9MMP2MMP8MMP1
SCHEMBL7862749 0.81 ACACB (0.52) ACACBMMP9MMP2MMP8MMP1
SCHEMBL2638379 0.81 ACACB (0.52) ACACBMMP9MMP2MMP8MMP1

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-0822827-B1 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2003-03-05 EP disclosed