SCHEMBL6777538

SCHEMBL6777538

CC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3-c3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 12/20 0.44
PLA2G10 O15496 1/20 0.44
PLA2G1B P04054 1/20 0.44
PLA2G5 P39877 1/20 0.44
BCAT2 O15382 1/20 0.37
PPARG P37231 2/20 0.37
MCL1 Q07820 3/20 0.37
BAD Q92934 3/20 0.37
KCNA5 P22460 2/20 0.35
KCNH2 Q12809 2/20 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
SCHEMBL6896741 0.90 PLA2G2A (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5MCL1
SCHEMBL6775731 0.88 PLA2G2A (0.46) PLA2G2APLA2G10PLA2G1BPLA2G5BCAT2
SCHEMBL6774300 0.87 PLA2G2A (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5BCAT2
SCHEMBL6774281 0.87 PLA2G2A (0.40) PLA2G2AKCNH2
SCHEMBL6774469 0.86 PLA2G2A (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6776187 0.86 ALDH1A1 (0.42)
SCHEMBL6770455 0.86 CD38 (0.38) PLA2G2APPARG
SCHEMBL6775004 0.86 ALDH1A1 (0.42) PLA2G2A
SCHEMBL6689186 0.86 PLA2G2A (0.46) PLA2G2APLA2G10PLA2G1BPLA2G5PPARG
SCHEMBL6768790 0.86 PLA2G2A (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5BCAT2

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