SCHEMBL16273661

SCHEMBL16273661

Cc1cc(O)cc(F)c1OCc1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
MRGPRX4 Q96LA9 7/20 0.46
FOLH1 Q04609 2/20 0.45
ALDH1A1 P00352 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
BCL2 P10415 2/20 0.39
MCL1 Q07820 2/20 0.39

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
SCHEMBL17616615 0.90 TP53 (0.47) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL16273634 0.82 MRGPRX4 (0.46) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL17616652 0.82 MRGPRX4 (0.48) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL16273694 0.80 FFAR1 (0.36) ALDH1A1FFAR1FFAR4THRATHRB
SCHEMBL17616665 0.79 MAOB (0.43) HTTMRGPRX4ALDH1A1FFAR1FFAR4
SCHEMBL16273651 0.78 MRGPRX4 (0.53) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL27877446 0.77 ALDH1A1 (0.55) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL17616617 0.77 MRGPRX4 (0.55) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL16273630 0.77 MAOB (0.49) HTTALDH1A1THRB
SCHEMBL17804521 0.77 MRGPRX4 (0.59) 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