SCHEMBL4788947

SCHEMBL4788947

NC(=O)Cc1ccsc1CO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA2 P00918 1/20 0.35
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK8 P45983 1/20 0.34
FABP4 P15090 1/20 0.34
BCAT2 O15382 1/20 0.33
LTB4R Q15722 4/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 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
SCHEMBL29967658 0.79 ALOX5 (0.37) ALOX5GAACA2MEN1MAPT
SCHEMBL2690986 0.77
SCHEMBL11086694 0.76 CA2 (0.42) ALOX5GAANPSR1CA2MAPK1
SCHEMBL11079970 0.76 KMT2A (0.50) GAANPSR1CA2MAPK1KMT2A
SCHEMBL23330448 0.74 SLC6A4 (0.39) GAANPSR1CA2MAPK1KMT2A
SCHEMBL11182311 0.74 ALOX5 (0.39) ALOX5CA2MAPK1KMT2AMEN1
SCHEMBL23330960 0.74 ALOX5 (0.39) ALOX5CA2MAPK1KMT2AMEN1
SCHEMBL10964741 0.73 FABP4 (0.48) NPSR1KMT2AMAPK8FABP4BCAT2
SCHEMBL10584739 0.72 ALOX5 (0.34) ALOX5CA2MAPK1KMT2AMEN1
SCHEMBL7160610 0.71 ALOX5 (0.39) ALOX5CA2MAPK1KMT2AMEN1

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
CN-109206417-B Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2023-01-03 CN disclosed
CN-115124520-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2022-09-30 CN disclosed
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed