SCHEMBL19987538

SCHEMBL19987538

CCc1cc(O)ccc1OCc1ccccc1OC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
PLEC Q15149 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ELANE P08246 4/20 0.37
F2 P00734 1/20 0.37
ABCB1 P08183 1/20 0.37
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL19987598 0.79 CDK4 (0.48) PTGDR2L3MBTL1MAPTKMT2AALDH1A1
SCHEMBL16273699 0.77 KMT2A (0.40) L3MBTL1MAPTKMT2AALDH1A1MEN1
SCHEMBL6748000 0.77 L3MBTL1 (0.48) L3MBTL1MAPTATMNPSR1KDM4E
SCHEMBL31084413 0.77 L3MBTL1 (0.48) L3MBTL1MAPTATMNPSR1KDM4E
SCHEMBL18831593 0.77 MRGPRX4 (0.39) PTGDR2MAPTNPSR1FFAR4
SCHEMBL19987568 0.77 PTGDR2 (0.41) PTGDR2MAPTKMT2AALDH1A1NPSR1
SCHEMBL18831671 0.76 MRGPRX4 (0.43)
SCHEMBL16742413 0.76 L3MBTL1 (0.51) L3MBTL1MAPTKMT2AALDH1A1MEN1
SCHEMBL1894477 0.75 ELANE (0.58) L3MBTL1MAPTKMT2AALDH1A1MEN1
SCHEMBL16273659 0.75 MRGPRX4 (0.59) ALDH1A1KDM4EELANEF2

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
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
EP-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed