SCHEMBL6781985

SCHEMBL6781985

Cc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MAPK10 P53779 1/20 0.44
ICMT O60725 2/20 0.44
F10 P00742 2/20 0.44
F2 P00734 1/20 0.44
PPARG P37231 3/20 0.42
PARP1 P09874 1/20 0.42
ATM Q13315 2/20 0.41
MAPK8 P45983 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FABP4 P15090 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
FEN1 P39748 1/20 0.40
PLA2G2A P14555 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40

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
SCHEMBL6693716 0.90 F10 (0.48) MAPTMAPK10ICMTF10F2
SCHEMBL6776332 0.89 MAPT (0.43) MAPTMAPK10ICMTF10PPARG
SCHEMBL6893146 0.88 PPARG (0.45) MAPTMAPK10F10F2PPARG
SCHEMBL6776586 0.87 MAPT (0.42) MAPTMAPK10ICMTF10PPARG
SCHEMBL6691732 0.87 ADRA1D (0.44) MAPTF10F2PARP1MAPK8
SCHEMBL6776400 0.87 MAPT (0.45) MAPTMAPK10ICMTF10PPARG
SCHEMBL6688565 0.87 LMNA (0.43) MAPTF10MAPK8ALDH1A1KDM4E
SCHEMBL6690357 0.86 PLA2G2A (0.51) ALDH1A1POLBPLA2G2A
SCHEMBL6781743 0.85 TRPV1 (0.45) MAPTMAPK10F10PPARGPARP1
SCHEMBL6775381 0.85 PPARG (0.44) MAPTMAPK10ICMTF10PPARG

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