SCHEMBL6893816

SCHEMBL6893816

CCCCCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccccc3-c3ccccc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.42
PPARG P37231 4/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G5 P39877 1/20 0.39
AGTR1 P30556 2/20 0.39
AGTR2 P50052 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPK8 P45983 1/20 0.37

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
SCHEMBL6890366 0.91 PLA2G2A (0.45) PLA2G2ALTB4R2PLA2G10PLA2G1BPLA2G5
SCHEMBL6776818 0.90 PPARG (0.45) PLA2G2APPARGPLA2G10PLA2G1BPLA2G5
SCHEMBL5212605 0.89 MAPK8 (0.42) PLA2G2APPARGAGTR1AGTR2TRPV1
SCHEMBL6889205 0.89 MAPK8 (0.41) PLA2G2APPARGPLA2G1BAGTR1AGTR2
SCHEMBL6896241 0.89 CNR1 (0.42) PLA2G2APLA2G1BMAPK8
SCHEMBL6897067 0.88 CNR1 (0.41) PLA2G2A
SCHEMBL6895127 0.88 CNR1 (0.42)
SCHEMBL6895065 0.88 LMNA (0.40) AGTR1AGTR2
SCHEMBL6892057 0.88 HSP90AA1 (0.37) AGTR1AGTR2
SCHEMBL6888714 0.87 TSPO (0.39)

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-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
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed