SCHEMBL8996014

SCHEMBL8996014

COc1ccccc1C(=O)C(O)C[N+](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.49
NPC1 O15118 2/20 0.45
HPGD P15428 4/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
STAT3 P40763 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 3/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
XBP1 P17861 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8996000 0.87 HPGD (0.46) NPC1HPGDTP53ALDH1A1RAB9A
SCHEMBL5685094 0.81 NPC1 (0.50) NPC1HPGDLMNATP53ALDH1A1
Iodide SCHEMBL8700644 0.81 CTSD (0.45) CTSDNPC1HPGDLMNATP53
SCHEMBL10339057 0.80 HPGD (0.44) NPC1HPGDLMNACA12CA1
Iodide SCHEMBL8995953 0.80 TP53 (0.49) NPC1HPGDLMNATP53ALDH1A1
SCHEMBL4624134 0.79 SLC6A2 (0.42) NPC1HPGDRAB9AHTTKMT2A
SCHEMBL8441866 0.78 CTSD (0.55) CTSDNPC1HPGDSTAT3ALDH1A1
SCHEMBL31257134 0.74 CTSD (0.55) CTSDNPC1HPGDSTAT3ALDH1A1
SCHEMBL4303504 0.74 CTSD (0.55) CTSDNPC1HPGDSTAT3ALDH1A1
SCHEMBL31318924 0.74 CTSD (0.55) CTSDNPC1HPGDSTAT3ALDH1A1

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-0063021-B1 METHOD FOR DETERMINING THE ACTIVITY OF CHOLINESTERASES AND DIAGNOSTIOC SOLUTION FOR USE THEREIN FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1984-10-31 EP claimed
JP-57167000-A None JP disclosed
EP-0572986-B1 Assay for serum cholinesterase JOHNSON & JOHNSON CLIN DIAG (US) 1996-08-28 EP disclosed
EP-0572986-A1 Assay for serum cholinesterase Johnson & Johnson Clinical Diagnostics, Inc. (US) 1993-12-08 EP disclosed
JP-S57167000-A DETERMINATION OF CHOLINESTERASE ACTIVITY FUJIREBIO INC 1982-10-14 JP disclosed