SCHEMBL19877313

SCHEMBL19877313

O=C(O)C=CC(=O)Nc1cc2ccc(O)cc2oc1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.63
POLB P06746 1/20 0.57
SNCA P37840 2/20 0.56
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MIF P14174 5/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 2/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
HSD17B3 P37058 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 3/20 0.47
TDP2 O95551 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL19877311 1.00 TP53 (0.63) TP53POLBSNCANPSR1RXFP1
SCHEMBL1607327 0.79 KDM4E (0.68) TP53POLBMIFMAPTGAA
SCHEMBL4819273 0.77 TP53 (1.00) TP53POLBNPSR1MIFMAPT
SCHEMBL4818246 0.77 TP53 (0.64) TP53POLBNPSR1RXFP1MIF
SCHEMBL15572602 0.76 HSD17B3 (0.54) TP53POLBNPSR1RXFP1MIF
SCHEMBL15572603 0.76 HSD17B3 (0.54) TP53POLBNPSR1RXFP1MIF
SCHEMBL10706447 0.76 TP53 (0.62) TP53POLBNPSR1MIFMAPT
SCHEMBL9716101 0.75 MIF (0.59) TP53POLBNPSR1RXFP1MIF
SCHEMBL29601296 0.75 MIF (0.59) TP53POLBNPSR1RXFP1MIF
SCHEMBL4818250 0.74 TP53 (0.67) TP53POLBNPSR1MIFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3500858-B1 ASSAY IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2023-12-27 EP disclosed
US-11415579-B2 Assay for measuring a rate of reaction between a target and a ligand candidate IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2022-08-16 US disclosed
US-20190293641-A1 ASSAY IMPERIAL COLLEGE INNOVATIONS, LTD. (GB) 2019-09-26 US disclosed
EP-3500858-A2 ASSAY Imperial Innovations Limited (GB) 2019-06-26 EP disclosed
WO-2018033753-A2 ASSAY IMPERIAL INNOVATIONS LIMITED (GB) 2018-02-22 WO disclosed