SCHEMBL7993813

SCHEMBL7993813

CCCc1ccc(CN(C(=O)C=O)c2cccc(C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 2/20 0.55
PAX8 Q06710 2/20 0.55
JAK2 O60674 1/20 0.55
HTT P42858 1/20 0.55
TP53 P04637 1/20 0.47
GPX4 P36969 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.44
BCL2A1 Q16548 1/20 0.43
TSPO P30536 1/20 0.42

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
SCHEMBL7711085 0.83 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL1924742 0.74 RAB9A (0.76) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL8003755 0.72 TRPM8 (0.66) RAB9ANPC1ALDH1A1PAX8HTT
SCHEMBL12764035 0.72 TSPO (0.77) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL18338252 0.71 RAB9A (1.00) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL17324352 0.71 RAB9A (0.44) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL378758 0.71 RAB9A (0.56) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL9547612 0.70 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL6831396 0.69 RAB9A (0.62) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL18425944 0.69 LTB4R2 (0.78) RAB9ANPC1ALDH1A1PAX8JAK2

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-0944636-A4 PHENYL GLYOXAMIDES AS sPLA2 INHIBITORS LILLY CO ELI (US) 2000-07-12 EP disclosed
EP-0944636-A1 PHENYL GLYOXAMIDES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
WO-1998024794-A1 PHENYL GLYOXAMIDES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed