SCHEMBL7964053

SCHEMBL7964053

COc1ccc2c(c1)c(CC(=O)OCc1ccccc1)c(Br)n2Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 18/20 0.76
PLA2G1B P04054 1/20 0.61
PTGS2 P35354 1/20 0.58
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL7953715 0.92 PLA2G2A (0.76) PLA2G2APLA2G1BPTGS2TSHRMAPK1
SCHEMBL8301133 0.88 PLA2G2A (0.75) PLA2G2APLA2G1BTSHRMAPK1KMT2A
SCHEMBL7953548 0.86 PLA2G2A (1.00) PLA2G2APLA2G1B
SCHEMBL8296297 0.86 PLA2G2A (0.76) PLA2G2APLA2G1B
SCHEMBL9095989 0.84 PLA2G2A (0.57) PLA2G2APLA2G1B
SCHEMBL8293050 0.83 PLA2G2A (1.00) PLA2G2A
SCHEMBL7962081 0.81 PLA2G2A (0.80) PLA2G2APLA2G1BPTGS2TSHRMAPK1
SCHEMBL7965802 0.79 PLA2G2A (0.70) PLA2G2APLA2G1BPTGS2TSHRMAPK1
SCHEMBL8647358 0.79 LMNA (0.77) PLA2G2APLA2G1BPTGS2TSHRMAPK1
SCHEMBL8290865 0.79 PLA2G2A (0.74) 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 7 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
EP-0620214-B1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors LILLY CO ELI (US) 1999-03-03 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
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed