SCHEMBL6694031

SCHEMBL6694031

Cc1cc(C)cc(Cn2c3cccc(O)c3c3c(C(N)=O)cccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.48
F10 P00742 8/20 0.42
F2 P00734 3/20 0.42
RPS6KB1 P23443 1/20 0.38
MAPK8 P45983 2/20 0.38
ADRA1D P25100 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP1 P09874 1/20 0.36

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
SCHEMBL6693347 0.91 PLA2G2A (0.51) PLA2G2AF10F2MAPK8ADRA1D
SCHEMBL30410173 0.86 PLA2G2A (0.40) PLA2G2ARPS6KB1MAPK8ADRA1D
SCHEMBL29029773 0.86 PLA2G2A (0.40) PLA2G2ARPS6KB1MAPK8ADRA1D
SCHEMBL6691732 0.86 ADRA1D (0.44) PLA2G2AF10F2MAPK8ADRA1D
SCHEMBL6693555 0.85 GAA (0.45) PLA2G2AF10F2KDM4EALDH1A1
SCHEMBL6690357 0.84 PLA2G2A (0.51) PLA2G2AALDH1A1
SCHEMBL5212989 0.84 PLA2G2A (0.58) PLA2G2AF10ADRA1DKDM4EALDH1A1
SCHEMBL7467933 0.82 RPS6KB1 (0.36) PLA2G2AF10F2RPS6KB1MAPK8
SCHEMBL6690183 0.81 PLA2G2A (0.62) PLA2G2AF10MAPK8ADRA1DKDM4E
SCHEMBL6691129 0.81 F10 (0.46) PLA2G2AF10F2RPS6KB1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
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