SCHEMBL7952628

SCHEMBL7952628

Cc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 19/20 1.00
ALDH1A1 P00352 1/20 0.65
GAA P10253 1/20 0.65
MAPT P10636 1/20 0.65
PKM P14618 1/20 0.65

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
SCHEMBL7964499 0.90 PLA2G2A (1.00) PLA2G2A
SCHEMBL5437216 0.90 PLA2G2A (0.82) PLA2G2AALDH1A1GAAMAPTPKM
SCHEMBL7964724 0.90 PLA2G2A (0.81) PLA2G2A
SCHEMBL27360541 0.88 PLA2G2A (0.79) PLA2G2A
SCHEMBL7965507 0.88 PLA2G2A (1.00) PLA2G2A
SCHEMBL8924900 0.88 PLA2G2A (0.78) PLA2G2A
SCHEMBL8292911 0.87 PLA2G2A (0.78) PLA2G2AALDH1A1GAAMAPTPKM
SCHEMBL7965392 0.87 PLA2G2A (0.77) PLA2G2A
SCHEMBL8924677 0.87 PLA2G2A (0.77) PLA2G2A
SCHEMBL7963009 0.86 PLA2G2A (0.76) PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed