SCHEMBL7963230

SCHEMBL7963230

COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 16/20 0.86
PLA2G1B P04054 1/20 0.86
LMNA P02545 2/20 0.76
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2C9 P11712 2/20 0.76
TSHR P16473 2/20 0.76
CYP2C19 P33261 2/20 0.76
PMP22 Q01453 2/20 0.76
MEN1 O00255 1/20 0.76
RGS12 O14924 1/20 0.76
ALDH1A1 P00352 1/20 0.76
MAPT P10636 1/20 0.76
PKM P14618 1/20 0.76
NFKB1 P19838 1/20 0.76
MAPK1 P28482 1/20 0.76
GNAI1 P63096 1/20 0.76
KMT2A Q03164 1/20 0.76
HIF1A Q16665 1/20 0.76
PTGS2 P35354 1/20 0.74

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
SCHEMBL7963016 0.93 PLA2G2A (1.00) PLA2G2APLA2G1BLMNACYP1A2CYP3A4
SCHEMBL8291566 0.92 PLA2G2A (0.81) PLA2G2APLA2G1BLMNACYP1A2CYP3A4
SCHEMBL7965081 0.92 PLA2G2A (0.86) PLA2G2APLA2G1B
SCHEMBL7965802 0.90 PLA2G2A (0.70) PLA2G2APLA2G1BLMNACYP1A2CYP3A4
SCHEMBL9139483 0.90 LMNA (0.76) PLA2G2APLA2G1BLMNACYP1A2CYP3A4
SCHEMBL8297412 0.89 PLA2G2A (0.87) PLA2G2APLA2G1B
SCHEMBL14446495 0.89 LMNA (0.89) PLA2G2APLA2G1BLMNACYP1A2CYP3A4
SCHEMBL1322507 0.86 LMNA (1.00) PLA2G2APLA2G1BLMNACYP1A2CYP3A4
SCHEMBL1320560 0.85 LMNA (1.00) PLA2G2APLA2G1BLMNACYP1A2CYP3A4
SCHEMBL8607505 0.85 PTGS2 (1.00) PLA2G2APLA2G1BLMNACYP1A2CYP3A4

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