SCHEMBL6896629

SCHEMBL6896629

COC(=O)c1cccc2c1c1c(O)cc(C)cc1n2Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.47
MAPK9 P45984 3/20 0.47
MAPK10 P53779 3/20 0.47
MAPT P10636 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MCL1 Q07820 6/20 0.42
BAD Q92934 6/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
CMA1 P23946 1/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL6690168 0.89 MAPK8 (0.53) MAPK8MAPK9MAPK10MAPTKDM4E
SCHEMBL6896536 0.89 MAPK8 (0.47) MAPK8MAPK9MAPK10MAPTKDM4E
SCHEMBL6895068 0.89 MAPK8 (0.47) MAPK8MAPK9MAPK10MAPTKDM4E
SCHEMBL6781636 0.89 MCL1 (0.45) KDM4EMCL1BADPLA2G1BPLA2G2A
SCHEMBL6892544 0.89 MAPT (0.44) MAPTKDM4EPLA2G2AKMT2AALDH1A1
SCHEMBL6894579 0.87 MAPK8 (0.45) MAPK8MAPK9MAPK10MAPTKDM4E
SCHEMBL6898392 0.87 L3MBTL1 (0.44) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL6894986 0.87 HSP90AA1 (0.38) MAPTKDM4EKMT2AALDH1A1HPGD
SCHEMBL6897295 0.87 MAPT (0.48) MAPTKDM4EPLA2G2AKMT2AALDH1A1
SCHEMBL6889876 0.85 MAPK8 (0.44) MAPK8MAPK9MAPK10MAPTKDM4E

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