SCHEMBL6156313

SCHEMBL6156313

COC=C(C(C)=O)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.35
THPO P40225 1/20 0.35
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA4 P22748 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
SCHEMBL10815080 0.86 GLO1 (0.33) GLO1ALDH1A1TSHRTHPOGAA
SCHEMBL10815075 0.86 GLO1 (0.33) GLO1ALDH1A1TSHRTHPOGAA
SCHEMBL15732847 0.86 GLO1 (0.33) GLO1ALDH1A1TSHRTHPOGAA
SCHEMBL166921 0.84 ALDH1A1 (0.40) GLO1ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL6154105 0.84 ALDH1A1 (0.40) GLO1ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL6154107 0.84 ALDH1A1 (0.40) GLO1ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL11654433 0.77 TSHR (0.41) GLO1TSHRHCAR2
SCHEMBL9048705 0.77 GLO1 (0.67) GLO1ALDH1A1GAATDP1MAPT
SCHEMBL11654434 0.77 TSHR (0.41) GLO1TSHRHCAR2
SCHEMBL9048698 0.77 GLO1 (0.67) GLO1ALDH1A1GAATDP1MAPT

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-1580189-A1 4-AMINO-5-METHYLPYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Sankyo Agro Company, Limited (JP) 2005-09-28 EP disclosed
US-4104049-A Chlorine-substituted vinylaminobenzoic acid compounds and plant growth regulant compositions BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed