SCHEMBL7966064

SCHEMBL7966064

NC(=O)c1cccc2c1c1c(OC(C(=O)O)C(F)(F)F)cccc1n2Cc1c(F)cc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 11/20 0.35
SCN9A Q15858 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G5 P39877 1/20 0.34
PLA2G2F Q9BZM2 1/20 0.34
PLA2G2E Q9NZK7 1/20 0.34
PLA2G2D Q9UNK4 1/20 0.34
MAPK14 Q16539 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
XBP1 P17861 1/20 0.31
KMT2A Q03164 1/20 0.31
ROCK2 O75116 2/20 0.31
PARP1 P09874 1/20 0.31
PPARG P37231 1/20 0.31
CYP3A4 P08684 1/20 0.30
CD38 P28907 1/20 0.30
KCNH2 Q12809 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL7966058 0.77 PLA2G2A (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2F
SCHEMBL8542255 0.77 PLA2G2A (0.46) PLA2G2ASCN9APLA2G10PLA2G1BPLA2G5
SCHEMBL27206879 0.74 PLA2G2A (0.54) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2F
SCHEMBL30410857 0.74 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2F
SCHEMBL817427 0.74 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2F
SCHEMBL29029791 0.72 CA5A (0.37) PLA2G2ALMNAKMT2A
SCHEMBL27563239 0.72 CYP3A4 (0.33) PLA2G2ASCN9AMAPK14MEN1LMNA
SCHEMBL27526244 0.71 CHRM1 (0.35) PLA2G2APLA2G1BMEN1LMNAXBP1
SCHEMBL27526252 0.71 P2RX1 (0.34) SCN9APLA2G10PLA2G1BMEN1LMNA
SCHEMBL28740784 0.71 PDE4A (0.32) SCN9AMEN1LMNAXBP1KMT2A

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