SCHEMBL16273628

SCHEMBL16273628

Cc1cc(OCc2ccccc2N=C=O)c(Cl)cc1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAPT P10636 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
NPC1 O15118 3/20 0.36
MCL1 Q07820 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL17616649 0.90 FFAR1 (0.39) MRGPRX4PTGDR2FFAR1FFAR4MAPT
SCHEMBL16273632 0.89 CYP3A4 (0.37) MRGPRX4PTGDR2FFAR1FFAR4MAPT
SCHEMBL17677487 0.89 MRGPRX4 (0.45) MRGPRX4PTGDR2MAPTHDAC8NPC1
SCHEMBL17616620 0.86 MRGPRX4 (0.40) MRGPRX4PTGDR2FFAR1FFAR4MAPT
SCHEMBL16273627 0.86 FFAR4 (0.41) MRGPRX4PTGDR2FFAR1FFAR4MAPT
SCHEMBL17616598 0.83 FFAR4 (0.41) MRGPRX4PTGDR2FFAR1FFAR4MAPT
SCHEMBL16273633 0.83 MRGPRX4 (0.46) MRGPRX4FFAR1FFAR4MAPTHDAC8
SCHEMBL17616618 0.82 CYP3A4 (0.42) MRGPRX4PTGDR2FFAR1FFAR4MAPT
SCHEMBL17616645 0.81 MRGPRX4 (0.45) MRGPRX4PTGDR2FFAR1FFAR4MAPT
SCHEMBL16273619 0.80 FFAR4 (0.41) MRGPRX4FFAR1FFAR4CYP3A4

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