SCHEMBL8327075

SCHEMBL8327075

CCc1c(C(=O)O)c2c(OCc3ccccc3)cccn2c1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 5/20 0.52
PTGER1 P34995 1/20 0.43
MRGPRX4 Q96LA9 7/20 0.42
NR4A2 P43354 2/20 0.42
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
VNN1 O95497 1/20 0.40
PPIA P62937 1/20 0.40
MAOB P27338 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
SCHEMBL7012614 0.88 PLA2G1B (0.48) PLA2G1BMRGPRX4
SCHEMBL9081030 0.86 PLA2G1B (0.50) PLA2G1BPTGER1MRGPRX4
SCHEMBL9080274 0.83 PLA2G1B (0.45) PLA2G1BPTGER1MRGPRX4NR4A2PTPN1
SCHEMBL7013388 0.78 PLA2G1B (0.48) PLA2G1BPTGER1MRGPRX4
SCHEMBL7007210 0.77 PLA2G1B (0.53) PLA2G1BPTGER1
SCHEMBL8319422 0.77 PLA2G1B (0.85) PLA2G1B
SCHEMBL9082885 0.72 PLA2G1B (0.58) PLA2G1BPTPN1PTPN6PPIA
SCHEMBL7013081 0.70 PLA2G1B (0.70) PLA2G1B
SCHEMBL7014844 0.69 ATM (0.48) PLA2G1BPTGER1MRGPRX4MAOB
SCHEMBL8615510 0.69 PLA2G1B (0.50) PLA2G1B

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
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed