SCHEMBL6776818

SCHEMBL6776818

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.45
PLA2G2A P14555 6/20 0.45
PLA2G10 O15496 1/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G5 P39877 1/20 0.41
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
EP300 Q09472 1/20 0.37
KAT5 Q92993 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL6893816 0.90 PLA2G2A (0.42) PPARGPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6774091 0.90 PLA2G2A (0.47) PPARGPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6778298 0.88 CNR1 (0.43) PPARGPLA2G2APLA2G1BEP300KAT5
SCHEMBL6778663 0.88 CNR2 (0.42) PPARGPLA2G2A
SCHEMBL5212214 0.88 PPARG (0.46) PPARGPLA2G2AAGTR1AGTR2KAT8
SCHEMBL6781319 0.87 PPARG (0.42) PPARGPLA2G2APLA2G1BAGTR1AGTR2
SCHEMBL6771775 0.87 PPARG (0.39) PPARGAGTR1AGTR2EP300KAT5
SCHEMBL6775148 0.87 CNR1 (0.42) PPARGPLA2G2A
SCHEMBL6782670 0.87 ALDH1A1 (0.39) PPARGAGTR1AGTR2EP300KAT5
SCHEMBL7962949 0.87 PLA2G2A (0.57) PPARGPLA2G2APLA2G10PLA2G1BPLA2G5

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