SCHEMBL6895899

SCHEMBL6895899

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.43
MAPT P10636 1/20 0.41
MAPK10 P53779 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER4 P35408 2/20 0.39
ATM Q13315 1/20 0.39
F10 P00742 1/20 0.38
PTGDR Q13258 1/20 0.38
KCNN4 O15554 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
SCHEMBL6776586 0.89 MAPT (0.42) PPARGMAPTMAPK10KDM4EALDH1A1
SCHEMBL6693179 0.89 PPARG (0.48) PPARGMAPTMAPK10KDM4EALDH1A1
SCHEMBL6897981 0.88 PPARG (0.45) PPARGMAPTMAPK10KDM4EALDH1A1
SCHEMBL6893146 0.88 PPARG (0.45) PPARGMAPTMAPK10KDM4EALDH1A1
SCHEMBL6895034 0.88 L3MBTL1 (0.43) MAPTKDM4EALDH1A1SMN1; SMN2F10
SCHEMBL6694748 0.88 MAPT (0.43) MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6895041 0.87 MAPT (0.45) MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6898645 0.86 PPARG (0.48) PPARGMAPTMAPK10KDM4EALDH1A1
SCHEMBL6897629 0.86 POLB (0.36) MAPTF10
SCHEMBL6895778 0.86 PLA2G2A (0.45) MAPTMAPK10ALDH1A1PTGER4F10

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