SCHEMBL8989159

SCHEMBL8989159

CCOC(=O)C(/C=C(\CBr)CCCCCCNC(=O)OCc1ccccc1)NC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
TGM2 P21980 1/20 0.48
SIRT2 Q8IXJ6 4/20 0.43
SIRT1 Q96EB6 2/20 0.43
FOLH1 Q04609 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
SIRT3 Q9NTG7 1/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 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
SCHEMBL8989163 1.00 HTT (0.50) HTTTGM2SIRT2SIRT1FOLH1
SCHEMBL8989010 0.91 HTT (0.53) HTTTGM2SIRT2SIRT1FOLH1
SCHEMBL8989003 0.91 HTT (0.53) HTTTGM2SIRT2SIRT1FOLH1
SCHEMBL9857311 0.90 HTT (0.54) HTTTGM2SIRT2SIRT1FOLH1
SCHEMBL9857308 0.90 HTT (0.54) HTTTGM2SIRT2SIRT1FOLH1
SCHEMBL8989021 0.85 HTT (0.44) HTTTGM2SIRT2SIRT1FOLH1
SCHEMBL8989033 0.82 CTSB (0.38) HTTLMNASMN1; SMN2L3MBTL1HSD17B10
SCHEMBL8989164 0.81 BCHE (0.34) SIRT2SIRT1HDAC3HDAC1HDAC2
SCHEMBL8988904 0.80 HTT (0.47) HTTTGM2SIRT2SIRT1FOLH1
SCHEMBL8989031 0.80 HSD17B10 (0.44) HTTTGM2SIRT2SIRT1FOLH1

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