SCHEMBL7961998

SCHEMBL7961998

COC(=O)Cc1c(C)n(Cc2ccccc2)c2cc(C)ccc12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 16/20 0.62
PLA2G1B P04054 1/20 0.56
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
TP53 P04637 2/20 0.51
MAPK8 P45983 1/20 0.50

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
SCHEMBL8292072 0.89 PLA2G2A (0.61) PLA2G2APLA2G1BALDH1A1GAAMAPT
SCHEMBL27363618 0.88 PLA2G2A (0.49) PLA2G2APLA2G1BMAPTTP53
SCHEMBL7963412 0.88 PLA2G2A (0.65) PLA2G2APLA2G1BALDH1A1MAPTPKM
SCHEMBL8301038 0.88 PLA2G2A (0.71) PLA2G2APLA2G1BALDH1A1GAAMAPT
SCHEMBL7962188 0.85 PLA2G2A (0.80) PLA2G2A
SCHEMBL7961660 0.82 PLA2G2A (0.75) PLA2G2APLA2G1BALDH1A1GAAMAPT
SCHEMBL8645997 0.81 PLA2G2A (0.83) PLA2G2APLA2G1BALDH1A1MAPTPKM
SCHEMBL14106891 0.81 PLA2G2A (0.50) PLA2G2APLA2G1BALDH1A1MAPTPKM
SCHEMBL8292611 0.80 PLA2G2A (0.60) PLA2G2APLA2G1BGAAMAPTPKM
SCHEMBL8291607 0.79 PLA2G2A (0.68) PLA2G2APLA2G1BALDH1A1MAPTPKM

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