SCHEMBL8742129

SCHEMBL8742129

CC(=O)N(c1ccccc1)c1ccc(C(=O)O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MAPT P10636 2/20 0.46
CA6 P23280 2/20 0.46
CA9 Q16790 2/20 0.46
GAA P10253 1/20 0.46
CA4 P22748 1/20 0.46
PTGS2 P35354 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
APAF1 O14727 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NSD2 O96028 2/20 0.44
TDP2 O95551 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL27576158 0.84 KDM4E (0.46) POLBL3MBTL1KDM4ECA12CA1
SCHEMBL8517391 0.77 NEU3 (0.39) KDM4EMAPTGAAAPAF1MEN1
SCHEMBL9013756 0.75 KMT2A (0.49) POLBL3MBTL1MAPTGAAAPAF1
SCHEMBL11732266 0.74 CA12 (0.57) POLBL3MBTL1KDM4ECA12CA1
SCHEMBL741752 0.73 NPSR1 (0.64) POLBL3MBTL1MAPTGAAAPAF1
SCHEMBL6825878 0.73 MEN1 (0.50) POLBL3MBTL1KDM4ECA12CA1
SCHEMBL8034169 0.71 PTPN1 (0.50) CA12CA1CA2CA9CA4
SCHEMBL8044893 0.71 NPSR1 (0.61) POLBL3MBTL1APAF1MEN1KMT2A
Hydrochloric Acid SCHEMBL8550497 0.71 NPSR1 (0.61) POLBL3MBTL1MAPTGAAAPAF1
SCHEMBL8742107 0.71 TPMT (0.49) KDM4EMEN1KMT2ATSHRHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755372-A4 INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE AND METHODS OF MAKING AND USING THE SAME UNIV ALABAMA (US) 1997-09-10 EP disclosed
EP-0755372-A1 INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE AND METHODS OF MAKING AND USING THE SAME THE UNIVERSITY OF ALABAMA AT BIRMINGHAM (US) 1997-01-29 EP disclosed
WO-1995028376-A1 INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE AND METHODS OF MAKING AND USING THE SAME THE UNIVERSITY OF ALABAMA AT BIRMINGHAM (US) 1995-10-26 WO disclosed