SCHEMBL6775439

SCHEMBL6775439

COc1cccc2c1c(C(=O)C(=O)O)cn2Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.61
SERPINE1 P05121 1/20 0.50
ADORA1 P30542 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CHRM1 P11229 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL7964192 0.90 PLA2G2A (0.76) PLA2G2AADORA1L3MBTL1CHRM1
SCHEMBL6775064 0.80 PLA2G2A (0.65) PLA2G2ATP53MAPTLMNAMTNR1A
SCHEMBL6775272 0.78 PLA2G2A (0.51) PLA2G2AL3MBTL1CHRM1MTNR1AMTNR1B
SCHEMBL7961599 0.78 PLA2G2A (0.76) PLA2G2A
SCHEMBL6775267 0.78 PLA2G2A (0.51) PLA2G2AL3MBTL1CHRM1MTNR1AMTNR1B
SCHEMBL7965269 0.76 PLA2G2A (0.60) PLA2G2ALMNAMTNR1AMTNR1B
SCHEMBL1607281 0.76 MAPT (0.53) PLA2G2AMAPK1MAPTLMNA
SCHEMBL5625905 0.76 ADORA1 (0.78) SERPINE1ADORA1L3MBTL1MAPK1MAPT
SCHEMBL30914311 0.75 MAPT (0.55) ADORA1TP53MAPTLMNA
SCHEMBL12484505 0.75 LTB4R (0.49) PLA2G2ATP53LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
EP-0950661-B1 Substituted tricyclics useful in sPLA2 induced diseases LILLY CO ELI (US) 2003-11-12 EP disclosed
EP-1156050-A2 Substituted tricyclics useful in sPLA2 induced diseases ELI LILLY AND COMPANY (US) 2001-11-21 EP disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0950661-A1 Substituted tricyclics useful in sPLA2 induced diseases ELI LILLY AND COMPANY (US) 1999-10-20 EP disclosed