SCHEMBL9026005

SCHEMBL9026005

CCC(O)Cc1c(C(=O)O)n[nH]c1C

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.51

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
SCHEMBL3957966 0.80 HCAR2 (0.56) HCAR2
SCHEMBL7814445 0.76 HCAR2 (0.57) HCAR2
SCHEMBL29129804 0.71 HCAR2 (0.49) HCAR2
SCHEMBL23453728 0.69 MEN1 (0.57)
SCHEMBL3129263 0.69 HCAR2 (1.00) HCAR2
SCHEMBL4631308 0.68 HCAR2 (0.63) HCAR2
Hydrochloric Acid SCHEMBL19556304 0.67 HCAR2 (0.96) HCAR2
SCHEMBL6109899 0.67 HCAR2 (0.50) HCAR2
SCHEMBL23453748 0.66 MEN1 (0.57)
SCHEMBL10779747 0.66 CYP1A2 (0.39)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 WO disclosed