SCHEMBL29575652

SCHEMBL29575652

COCc1c(C)cccc1N=C=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
TRPA1 O75762 1/20 0.40
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL15352625 1.00 CYP3A4 (0.53) CYP3A4TRPA1GABRA1GABRB2HPGD
SCHEMBL28609113 0.86 CYP3A4 (0.41) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL20342937 0.83 GABRA1 (0.51) CYP3A4TRPA1GABRA1GABRB2HPGD
SCHEMBL17146211 0.83 CYP3A4 (0.46) CYP3A4TRPA1GABRA1GABRB2HPGD
SCHEMBL4705523 0.82 CYP3A4 (0.57) CYP3A4TRPA1GABRA1GABRB2HPGD
SCHEMBL7572989 0.81 CYP3A4 (0.55) CYP3A4TRPA1GABRA1GABRB2HPGD
SCHEMBL6377899 0.81 CYP3A4 (0.55) CYP3A4TRPA1GABRA1GABRB2HPGD
SCHEMBL17191183 0.80 CYP3A4 (0.46) CYP3A4TRPA1GABRA1GABRB2HPGD
SCHEMBL16920900 0.79 CYP3A4 (0.45) CYP3A4TRPA1GABRA1GABRB2HPGD
SCHEMBL15761303 0.77 CYP3A4 (0.44) CYP3A4TRPA1GABRA1GABRB2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784659-B1 PROCESS FOR THE PREPARATION OF 1-(2-METHOXYMETHYL-3-METHYLPHENYL)4H-TETRAZOLIN-5-ONE BASF SE (DE) 2026-05-06 EP claimed
CN-114466841-A Process for preparing tetrazolinone compounds 巴斯夫欧洲公司 2022-05-10 CN disclosed