SCHEMBL19987555

SCHEMBL19987555

Cc1cc(OCc2ccccc2OC#N)c(Cl)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
MRGPRX4 Q96LA9 5/20 0.39
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 1/20 0.37
NPC1 O15118 1/20 0.37
MCL1 Q07820 1/20 0.37
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
AR P10275 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HPGD P15428 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL19987568 0.90 PTGDR2 (0.41) PTGDR2FFAR4FFAR1MCL1MAPT
SCHEMBL16273702 0.79 MRGPRX4 (0.42) PTGDR2MRGPRX4FFAR4FFAR1NPC1
SCHEMBL18831528 0.78 MET (0.37) MRGPRX4GAAPTGER1
SCHEMBL16273715 0.76 MRGPRX4 (0.68) PTGDR2MRGPRX4FFAR4FFAR1NPC1
SCHEMBL16273628 0.76 MRGPRX4 (0.40) PTGDR2MRGPRX4FFAR4FFAR1NPC1
SCHEMBL16273707 0.74 RAB9A (0.51) PTGDR2MRGPRX4NPC1HTTMAPT
SCHEMBL18831445 0.74 SLC22A12 (0.36) PTGDR2MRGPRX4FFAR4MAPT
SCHEMBL19987567 0.73 MCL1 (0.37) PTGDR2MRGPRX4FFAR4MCL1TP53
SCHEMBL18831621 0.73 SLC22A12 (0.41) MRGPRX4MAPTHPGDKDM4E
SCHEMBL19987538 0.73 PTGDR2 (0.41) PTGDR2FFAR4MCL1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed