SCHEMBL7967403

SCHEMBL7967403

CCCCCc1cc(C(=O)C(=O)O)c2c3c(C(N)=O)cccc3n(Cc3ccc(C)cc3C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.36
PLK1 P53350 8/20 0.36
PLK3 Q9H4B4 2/20 0.35
ICMT O60725 1/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
GRIN2B Q13224 1/20 0.34
PLA2G2A P14555 3/20 0.33
PLA2G1B P04054 1/20 0.33

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
SCHEMBL6129596 0.88 PPARG (0.45) PPARGPLA2G2APLA2G1B
SCHEMBL7967407 0.86 PLA2G2A (0.43) PPARGPLA2G2APLA2G1B
SCHEMBL7967406 0.85 PPARG (0.35) PPARGPLK1ICMTCNR2CNR1
SCHEMBL27526509 0.84 PPARG (0.35) PPARGPLK1PLK3ICMTCNR2
SCHEMBL6778663 0.81 CNR2 (0.42) PPARGCNR2CNR1PLA2G2A
SCHEMBL27526530 0.81 CNR2 (0.34) PPARGICMTCNR2CNR1GRIN2B
SCHEMBL6770304 0.79 CNR1 (0.42) PPARGICMTCNR2CNR1PLA2G2A
SCHEMBL7965914 0.78 PLA2G2A (0.51) PPARGPLA2G2APLA2G1B
SCHEMBL7962764 0.78 PLA2G2A (0.33) PPARGPLA2G2A
SCHEMBL27526178 0.77 PPARG (0.35) PPARGCNR2GRIN2BPLA2G2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed