SCHEMBL6889205

SCHEMBL6889205

CCCCCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3cccc(-c4ccccc4)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
PLA2G2A P14555 2/20 0.39
PLA2G1B P04054 1/20 0.39
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
PPARG P37231 3/20 0.36
PLK1 P53350 1/20 0.36
HDAC1 Q13547 1/20 0.36
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
PPARA Q07869 1/20 0.36
EGFR P00533 1/20 0.35
NR4A2 P43354 1/20 0.35

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
SCHEMBL5212605 0.94 MAPK8 (0.42) MAPK8TRPV1PLA2G2APPARGPLK1
SCHEMBL6888047 0.91 CNR1 (0.38) MAPK8TRPV1PPARGPLK1AGTR1
SCHEMBL6897303 0.91 PLA2G2A (0.42) MAPK8PLA2G2APLA2G1BKLKB1KLK1
SCHEMBL6897075 0.90 CETP (0.41) PPARGHDAC1PPARA
SCHEMBL6896800 0.89 MAPT (0.43) AGTR1
SCHEMBL6781319 0.89 PPARG (0.42) TRPV1PLA2G2APLA2G1BKLKB1KLK1
SCHEMBL6893816 0.89 PLA2G2A (0.42) MAPK8TRPV1PLA2G2APLA2G1BPPARG
SCHEMBL6891901 0.88 PLA2G2A (0.43) PLA2G2APLA2G1BAGTR1
SCHEMBL6889327 0.88 MAPT (0.41) TRPV1
SCHEMBL6897945 0.88 POLB (0.36) MAPK8PLK1PPARA

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