SCHEMBL16273652

SCHEMBL16273652

Cc1c(OCc2ccccc2C(=O)O)ccc(O)c1F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
MRGPRX4 Q96LA9 9/20 0.52
FOLH1 Q04609 2/20 0.51
ALDH1A1 P00352 1/20 0.47
CLCN2 P51788 2/20 0.46
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MCL1 Q07820 1/20 0.43

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
SCHEMBL17616627 0.88 MRGPRX4 (0.62) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL16273613 0.82 MRGPRX4 (0.52) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL17616648 0.82 MRGPRX4 (0.54) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL16273703 0.80 MRGPRX4 (0.37) TP53HTTMRGPRX4ALDH1A1MAPT
SCHEMBL16273651 0.78 MRGPRX4 (0.53) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL17616659 0.77 MRGPRX4 (0.52) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL16273625 0.77 MAOB (0.49) HTTALDH1A1MAPTL3MBTL1
SCHEMBL16273634 0.77 MRGPRX4 (0.46) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL17804521 0.77 MRGPRX4 (0.59) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL24677896 0.76 MRGPRX4 (0.51) TP53HTTMRGPRX4FOLH1ALDH1A1

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
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