SCHEMBL7782151

SCHEMBL7782151

NC(Cc1c[nH]cn1)C(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.37
SCN9A Q15858 3/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 3/20 0.35
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
SLC7A5 Q01650 1/20 0.34
ANPEP P15144 1/20 0.34
LAP3 P28838 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LTA4H P09960 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PLA2G2A P14555 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7782152 1.00 SLC1A3 (0.37) SLC1A3SCN9AATML3MBTL1CYP1A2
SCHEMBL1171906 0.86 ITGB3 (0.46) CYP1A2ALPIPKMPTGS1XIAP
Histidine SCHEMBL8315963 0.86 ITGB3 (0.46) CYP1A2ALPIPKMPTGS1XIAP
Histidine SCHEMBL8316688 0.86 ITGB3 (0.46) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL2678594 0.84 MAOB (0.39) SCN9AATMALDH1A1LTA4HMEN1
SCHEMBL8015382 0.83 ALDH1A1 (0.42) SCN9APKMALDH1A1MEN1KMT2A
SCHEMBL28129418 0.83 BCL9 (0.40) L3MBTL1PKMALDH1A1KMT2AMAPT
SCHEMBL19063571 0.83 ANPEP (0.40) SCN9AANPEPLAP3
SCHEMBL729057 0.83 LTA4H (0.44) SLC1A3ALPIPKMPTGS1XIAP
SCHEMBL3155213 0.83 ALPI (0.46) SLC1A3ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109748875-A A kind of preparation method of whale carnosine and its intermediate 南京纽邦生物科技有限公司 2019-05-14 CN disclosed
CN-109748874-A A kind of preparation method of anserine and its intermediate 南京纽邦生物科技有限公司 2019-05-14 CN disclosed
CN-100591649-C Method of preparing R-(+)-3-chlorophenylpropanol TIANDU CHEN 2010-02-24 CN disclosed
CN-101012147-A Method of preparing R-(+)-3-chlorophenylpropanol CHEN TIANDU (CN) 2007-08-08 CN disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed