SCHEMBL8926749

SCHEMBL8926749

CCCP(=O)(O)OOc1ccc2c(c1)c(C(=O)CN)cn2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SERPINE1 P05121 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL8926990 0.84 PLA2G2A (0.70) PLA2G2A
SCHEMBL8926742 0.78 PLA2G2A (0.48) PLA2G2AL3MBTL1LMNAALDH1A1MEN1
SCHEMBL8926048 0.75 PLA2G2A (0.71) PLA2G2A
SCHEMBL8927009 0.74 PLA2G2A (0.74) PLA2G2A
SCHEMBL8924693 0.74 PLA2G2A (0.70) PLA2G2A
SCHEMBL8926577 0.73 PLA2G2A (0.69) PLA2G2A
SCHEMBL8924312 0.73 PLA2G2A (0.72) PLA2G2AMTNR1AMTNR1B
SCHEMBL8926059 0.72 PLA2G2A (0.71) PLA2G2AMTNR1AMTNR1B
SCHEMBL8926090 0.72 PLA2G2A (0.72) PLA2G2A
SCHEMBL8926735 0.71 L3MBTL1 (0.43) PLA2G2AL3MBTL1LMNAALDH1A1MEN1

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-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