SCHEMBL9829488

SCHEMBL9829488

O=C(NC(CCO)C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.53
ACE P12821 2/20 0.51
CA2 P00918 9/20 0.50
CA1 P00915 4/20 0.50
PTPN1 P18031 1/20 0.50
C3AR1 Q16581 1/20 0.49
HPGD P15428 1/20 0.49
IDO1 P14902 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL9829492 1.00 SLC1A2 (0.53) SLC1A2ACECA2CA1PTPN1
SCHEMBL16151168 0.88 C3AR1 (0.52) ACECA2CA1PTPN1C3AR1
SCHEMBL16151169 0.88 C3AR1 (0.52) ACECA2CA1PTPN1C3AR1
SCHEMBL2791574 0.85 CA2 (0.66) SLC1A2ACECA2CA1PTPN1
SCHEMBL9943491 0.85 CA2 (0.66) SLC1A2ACECA2CA1PTPN1
SCHEMBL2792747 0.85 CA2 (0.66) SLC1A2ACECA2CA1PTPN1
SCHEMBL698067 0.84 CA2 (0.67) CA2CA1HPGDTDP1LMNA
SCHEMBL715646 0.84 CA2 (0.67) CA2CA1HPGDTDP1LMNA
SCHEMBL2330374 0.84 CTRB1 (0.51) SLC1A2ACECA2CA1PTPN1
SCHEMBL2330376 0.84 CTRB1 (0.51) SLC1A2ACECA2CA1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed