SCHEMBL6897981

SCHEMBL6897981

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.45
MAPT P10636 2/20 0.42
MAPK10 P53779 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PTGER3 P43115 1/20 0.42
ATM Q13315 1/20 0.40
F10 P00742 1/20 0.40
KCNN4 O15554 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6898238 0.91 TRPV1 (0.46) PPARGMAPTMAPK10KDM4ESMN1; SMN2
SCHEMBL6693179 0.91 PPARG (0.48) PPARGMAPTMAPK10KDM4ESMN1; SMN2
SCHEMBL6893146 0.90 PPARG (0.45) PPARGMAPTMAPK10KDM4ESMN1; SMN2
SCHEMBL6776332 0.89 MAPT (0.43) PPARGMAPTMAPK10KDM4ESMN1; SMN2
SCHEMBL6898645 0.89 PPARG (0.48) PPARGMAPTMAPK10KDM4ESMN1; SMN2
SCHEMBL6895899 0.88 PPARG (0.43) PPARGMAPTMAPK10KDM4ESMN1; SMN2
SCHEMBL6895418 0.87 L3MBTL1 (0.45) MAPTKDM4ESMN1; SMN2ALDH1A1F10
SCHEMBL6894814 0.87 MAPT (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6890365 0.86 PPARG (0.46) PPARGMAPTMAPK10HTTL3MBTL1
SCHEMBL6889689 0.86 MAPT (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1F10

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