SCHEMBL7953555

SCHEMBL7953555

CCOC(=O)CCCOc1ccc2c(c1)c(CC(N)=O)cn2Cc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 12/20 0.79
ICMT O60725 6/20 0.64
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54

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
SCHEMBL7953321 0.88 PLA2G2A (1.00) PLA2G2AICMTPPARGPPARDPPARA
SCHEMBL2156634 0.85 PLA2G2A (0.79) PLA2G2A
SCHEMBL7961585 0.84 PLA2G2A (0.81) PLA2G2AICMTPPARGPPARDPPARA
SCHEMBL8298657 0.82 PPARD (0.65) PLA2G2AICMTPPARGPPARDPPARA
SCHEMBL7952366 0.82 PLA2G2A (1.00) PLA2G2AICMTPPARGPPARDPPARA
SCHEMBL7965400 0.82 PLA2G2A (0.81) PLA2G2A
SCHEMBL7961582 0.81 PLA2G2A (0.81) PLA2G2AICMTPPARGPPARDPPARA
SCHEMBL7963386 0.81 PLA2G2A (0.86) PLA2G2A
SCHEMBL8926105 0.81 PLA2G2A (0.70) PLA2G2AICMT
SCHEMBL7962123 0.81 PLA2G2A (0.64) PLA2G2AICMTPPARGPPARDPPARA

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 3 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-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed