SCHEMBL6889596

SCHEMBL6889596

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccc4ccccc4c3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.38
F10 P00742 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
P2RX7 Q99572 1/20 0.37
CNR2 P34972 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 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
SCHEMBL6897889 0.91 CNR2 (0.38) SLC6A2SLC6A4SLC6A3CNR2
SCHEMBL6896918 0.91 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3PTGDR2KDM4E
SCHEMBL6898718 0.90 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3PTGDR2KDM4E
SCHEMBL6894708 0.89 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3PTGDR2KDM4E
SCHEMBL6777431 0.89 PARP1 (0.41) PTGDR2F10CYP1A2CYP2A6CNR2
SCHEMBL6894814 0.89 MAPT (0.44) KDM4EKMT2AMEN1GAANPSR1
SCHEMBL6893995 0.88 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KDM4EKMT2A
SCHEMBL6896777 0.87 FAAH (0.44) KDM4EKMT2AMEN1GAA
SCHEMBL6896536 0.86 MAPK8 (0.47) KDM4EKMT2AF10MEN1MAPK8
SCHEMBL6897434 0.86 MAPT (0.39) KDM4EKMT2AF10MEN1GAA

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