SCHEMBL28107694

SCHEMBL28107694

CC(O[N+](=O)[O-])C(=O)O.[CaH2]

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.36
TP53 P04637 1/20 0.33
GSR P00390 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2013129 0.98
SCHEMBL29803044 0.98
SCHEMBL3959098 0.95 CPA1 (0.36) CPA1TP53GSRPTGS1PTGS2
Methane SCHEMBL2015615 0.95 CPA1 (0.36) CPA1TP53GSRPTGS1PTGS2
Ethane SCHEMBL2012294 0.95 CPA1 (0.36) CPA1TP53GSRPTGS1PTGS2
SCHEMBL11894817 0.78
SCHEMBL12136420 0.76
SCHEMBL637094 0.74 MMP1 (0.41) CPA1TP53GSRPTGS1PTGS2
SCHEMBL637095 0.74 MMP1 (0.41) CPA1TP53GSRPTGS1PTGS2
SCHEMBL2015614 0.74 SMN1; SMN2 (0.38) CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106007452-A Preparation method of early strength type high-performance polycarboxylic acid water reducing agent 福建建工建材科技开发有限公司 2016-10-12 CN disclosed