SCHEMBL5697202

SCHEMBL5697202

CCc1cc2c(OCC(=O)OC(C)(C)C)cccc2n1Cc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.43
PLA2G1B P04054 5/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G5 P39877 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
EDNRB P24530 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL5696981 0.94 PLA2G2A (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5PSEN1
SCHEMBL5696902 0.84 PSEN1 (0.43) PLA2G2APLA2G1BPSEN1PSEN2APH1B
SCHEMBL2157014 0.83 PLA2G2A (0.52) PLA2G2APLA2G1BPLA2G10PLA2G5PSEN1
SCHEMBL5697008 0.82 MTNR1A (0.52) PLA2G2APLA2G1BPLA2G10PLA2G5PSEN1
SCHEMBL5697018 0.78 PLA2G2A (0.55) PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL2157143 0.76 PLA2G2A (0.53) PLA2G2APLA2G1BPLA2G10PLA2G5PSEN1
SCHEMBL4789355 0.74 PLA2G1B (0.46) PLA2G2APLA2G1BPSEN1PSEN2APH1B
SCHEMBL2156559 0.74 MTNR1B (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5HTT
SCHEMBL2156650 0.72 PLA2G2A (0.52) PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL5697108 0.71 PLA2G2A (0.61) PLA2G2APLA2G1BPLA2G10PLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100492-B1 INDOLE sPLA2 INHIBITORS LILLY CO ELI (US) 2006-05-24 EP disclosed
US-6451839-B1 Indole sPLA2 inhibitors ELI LILLY AND COMPANY 2002-09-17 US disclosed
EP-1100492-A4 INDOLE sPLA 2? INHIBITORS LILLY CO ELI (US) 2001-10-24 EP disclosed
EP-1100492-A1 INDOLE sPLA 2? INHIBITORS Eli Lilly & Company (US) 2001-05-23 EP disclosed
WO-2000007590-A1 INDOLE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2000-02-17 WO disclosed