SCHEMBL8989003

SCHEMBL8989003

COC(=O)C(/C=C(\CBr)CCCCNC(=O)OCc1ccccc1)NC=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
TGM2 P21980 1/20 0.48
FOLH1 Q04609 4/20 0.45
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TPSAB1 Q15661 2/20 0.42
TPSD1 Q9BZJ3 2/20 0.42
TPSG1 Q9NRR2 2/20 0.42
MAPT P10636 1/20 0.42
PLG P00747 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL8989010 1.00 HTT (0.53) HTTTGM2FOLH1KEAP1NFE2L2
SCHEMBL8989163 0.91 HTT (0.50) HTTTGM2FOLH1KEAP1NFE2L2
SCHEMBL8989159 0.91 HTT (0.50) HTTTGM2FOLH1KEAP1NFE2L2
SCHEMBL9857311 0.91 HTT (0.54) HTTTGM2FOLH1KEAP1NFE2L2
SCHEMBL9857308 0.91 HTT (0.54) HTTTGM2FOLH1KEAP1NFE2L2
SCHEMBL8988904 0.84 HTT (0.47) HTTTGM2FOLH1KEAP1NFE2L2
SCHEMBL8989017 0.80 TSHR (0.36) HTT
SCHEMBL8988920 0.79 HTT (0.47) HTTTGM2FOLH1KEAP1NFE2L2
SCHEMBL8989021 0.77 HTT (0.44) HTTTGM2FOLH1SIRT2SIRT1
SCHEMBL8989007 0.76 TGM2 (0.51) HTTTGM2FOLH1KEAP1NFE2L2

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
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed