SCHEMBL10020558

SCHEMBL10020558

COC(=O)/C=C\c1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
TYR P14679 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
SLC7A5 Q01650 5/20 0.51
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
PTPN1 P18031 2/20 0.48
TTR P02766 1/20 0.47
APP P05067 1/20 0.47
KDM4E B2RXH2 1/20 0.46
JAK2 O60674 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
Hydrochloric Acid SCHEMBL8077944 0.83 GSK3B (0.54) APPKDM4EMAPTSMN1; SMN2BACE1
Hydrochloric Acid SCHEMBL8077951 0.83 GSK3B (0.54) APPKDM4EMAPTSMN1; SMN2BACE1
SCHEMBL13967570 0.82 CA12 (0.60) CA12CA1CA2TYRCA7
SCHEMBL15670893 0.81 SLC7A5 (0.61) CA12CA1CA2TYRCA7
SCHEMBL31025610 0.79 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1165117 0.79 CA12 (0.64) CA12CA1CA2TYRCA7
SCHEMBL1165118 0.79 CA12 (0.64) CA12CA1CA2TYRCA7
SCHEMBL5332108 0.79 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL15670892 0.78 SLC7A5 (0.71) CA12CA1CA2TYRCA7
SCHEMBL25146576 0.78 SMN1; SMN2 (0.56) CA12CA1CA2TYRCA7

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
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-20120012453-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2012-01-19 US disclosed
US-20120012453-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2012-01-19 US disclosed
WO-2010081236-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2010-07-22 WO disclosed