SCHEMBL6894579

SCHEMBL6894579

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.45
MAPK9 P45984 4/20 0.45
MAPK10 P53779 4/20 0.45
MAPT P10636 3/20 0.41
MCL1 Q07820 6/20 0.39
BAD Q92934 6/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CMA1 P23946 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIK3C2B O00750 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 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
SCHEMBL6775683 0.89 PLA2G1B (0.41) MAPK8MCL1BADPLA2G1BPLA2G2A
SCHEMBL6894947 0.88 MAPT (0.41) MAPTPLA2G2AKDM4EALDH1A1TDP1
SCHEMBL6898407 0.87 YWHAH (0.43) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL6887085 0.87 MAPT (0.44) MAPTPLA2G2AKDM4EALDH1A1TDP1
SCHEMBL6898120 0.87 HSP90AA1 (0.37) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL6896629 0.87 MAPK8 (0.47) MAPK8MAPK9MAPK10MAPTMCL1
SCHEMBL6690168 0.87 MAPK8 (0.53) MAPK8MAPK9MAPK10MAPTMCL1
SCHEMBL6893995 0.86 SLC6A2 (0.38) MAPK8MAPK10KDM4EALDH1A1KMT2A
SCHEMBL6896536 0.86 MAPK8 (0.47) MAPK8MAPK9MAPK10MAPTMCL1
SCHEMBL6895068 0.86 MAPK8 (0.47) MAPK8MAPK9MAPK10MAPTMCL1

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