SCHEMBL28755156

SCHEMBL28755156

O=C(O)N(C(=O)O)N(C(=O)O)C(=O)c1ccc(CCS(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.42
LIMK2 P53671 2/20 0.36
LIMK1 P53667 1/20 0.36
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD11B1 P28845 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MMP8 P22894 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
LPAR1 Q92633 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
SCHEMBL2937142 0.76 HDAC3 (0.37) RCE1HDAC1HDAC3ESR1ESR2
SCHEMBL29001417 0.75 MEN1 (0.50) MMP12MMP13HDAC1HDAC8MMP8
SCHEMBL27449196 0.71 CYP4A11 (0.41) MMP12MMP13HDAC1HDAC8ESR1
SCHEMBL248501 0.70 CA2 (0.53) MMP12MMP13HSD17B10HDAC1HDAC8
SCHEMBL28822705 0.69 CA2 (0.52) MMP12MMP13HDAC1HDAC8HDAC6
SCHEMBL8145771 0.69 ESR1 (0.56) HSD17B10ESR1ESR2KMT2A
SCHEMBL9653975 0.69 RECQL (0.41) MMP12MMP13ESR1ESR2MMP8
Ammonia Solution, Strong SCHEMBL31358922 0.69 CA2 (0.52) MMP12MMP13HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL11371981 0.69 CA2 (0.52) MMP12MMP13HDAC1HDAC8HDAC6
Fluoride SCHEMBL27466222 0.69 CA2 (0.52) MMP12MMP13HDAC1HDAC8HDAC6

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
CN-100586485-C Radiofluorination method of bioactive carrier AMERSHAM HEALTH AS 2010-02-03 CN disclosed
CN-1758925-A Radiofluorination method of bioactive carrier AMERSHAM HEALTH AS (NO) 2006-04-12 CN disclosed