SCHEMBL16273613

SCHEMBL16273613

Cc1cc(OCc2ccccc2C(=O)O)c(C)c(F)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.52
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
FOLH1 Q04609 2/20 0.49
ALDH1A1 P00352 1/20 0.45
CLCN2 P51788 1/20 0.42
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
PTGER1 P34995 1/20 0.41
MEN1 O00255 1/20 0.40
PSMD14 O00487 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL17616648 0.90 MRGPRX4 (0.54) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL17616627 0.83 MRGPRX4 (0.62) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL16273652 0.82 TP53 (0.53) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL16273697 0.81 PKM (0.36) MRGPRX4TP53HTTALDH1A1MCL1
SCHEMBL17616626 0.80 TP53 (0.60) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL17616660 0.80 MRGPRX4 (0.46) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL16273716 0.79 TP53 (0.56) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL16273651 0.79 MRGPRX4 (0.53) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL16273626 0.78 MAOB (0.47) HTTALDH1A1MEN1GAAMAPT
SCHEMBL17616617 0.78 MRGPRX4 (0.55) MRGPRX4TP53HTTFOLH1ALDH1A1

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 7 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
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed
WO-2015016373-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR 住友化学株式会社 (JP) 2015-02-05 WO disclosed
WO-2014192953-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME 住友化学株式会社 (JP) 2014-12-04 WO disclosed