SCHEMBL6776586

SCHEMBL6776586

CC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C(F)(F)F)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MAPK10 P53779 1/20 0.42
EPHX1 P07099 3/20 0.41
F10 P00742 1/20 0.41
PARP1 P09874 1/20 0.41
PPARG P37231 1/20 0.40
ATM Q13315 2/20 0.40
MAPK8 P45983 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR52 Q9Y2T5 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
FABP4 P15090 1/20 0.38
FEN1 P39748 1/20 0.38
PTGER4 P35408 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 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
SCHEMBL6895899 0.89 PPARG (0.43) MAPTMAPK10F10PPARGATM
SCHEMBL6776450 0.87 LMNA (0.39) F10MAPK8LMNAPOLBFABP4
SCHEMBL6781985 0.87 MAPT (0.44) MAPTMAPK10F10PARP1PPARG
SCHEMBL6689186 0.87 PLA2G2A (0.46) PARP1PPARGADRB2ADRB1ADRB3
SCHEMBL6693716 0.87 F10 (0.48) MAPTMAPK10F10PARP1PPARG
SCHEMBL6776332 0.87 MAPT (0.43) MAPTMAPK10F10PARP1PPARG
SCHEMBL6775864 0.86 ADRA1D (0.41) MAPTF10PARP1MAPK8ALDH1A1
SCHEMBL6775770 0.85 F10 (0.39) F10PARP1MAPK8LMNAPOLB
SCHEMBL6771712 0.85 PLA2G2A (0.51) MAPTMAPK10F10ALDH1A1KDM4E
SCHEMBL7966952 0.85 PLA2G2A (0.44) PARP1FABP4PTGER4

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