SCHEMBL9399429

SCHEMBL9399429

[Li]COC(=O)[C@H](C)N=Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PLA2G7 Q13093 1/20 0.38
G6PD P11413 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 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
SCHEMBL1959830 0.86 MEN1 (0.50) MIFMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1830261 0.86 MEN1 (0.50) MIFMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10490150 0.86 MEN1 (0.50) MIFMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9778970 0.86 MEN1 (0.50) MIFMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1962034 0.82 MIF (0.52) MIFMEN1KMT2APLA2G7CA1
SCHEMBL8125280 0.82 MIF (0.52) MIFMEN1KMT2APLA2G7CA1
SCHEMBL8259717 0.82 MIF (0.52) MIFMEN1KMT2APLA2G7CA1
SCHEMBL13201409 0.82 MIF (0.52) MIFMEN1KMT2APLA2G7CA1
SCHEMBL8126152 0.82 MIF (0.52) MIFMEN1KMT2APLA2G7CA1
SCHEMBL1962036 0.82 MIF (0.52) MIFMEN1KMT2APLA2G7CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5331006-A Cholecystokinin, antisecretory agents WARNER-LAMBERT COMPANY (US) 1994-07-19 US disclosed
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed