SCHEMBL9772153

SCHEMBL9772153

CCOC(=O)CC(O)CCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.55
SIRT1 Q96EB6 2/20 0.55
TGM2 P21980 1/20 0.54
HTT P42858 1/20 0.53
FOLH1 Q04609 3/20 0.52
DPP8 Q6V1X1 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL9772245 0.90 HTT (0.56) TGM2HTTFOLH1DPP8DPP7
SCHEMBL9772251 0.90 HTT (0.56) TGM2HTTFOLH1DPP8DPP7
SCHEMBL9772191 0.86 HTT (0.64) TGM2HTTFOLH1DPP8DPP7
SCHEMBL9772192 0.86 HTT (0.64) TGM2HTTFOLH1DPP8DPP7
SCHEMBL9772263 0.85 TGM2 (0.57) SIRT2TGM2HTTFOLH1DPP8
SCHEMBL3697193 0.84 TGM2 (0.56) SIRT2SIRT1TGM2HTTFOLH1
SCHEMBL9772187 0.83 HTT (0.58) TGM2HTTFOLH1DPP8DPP7
SCHEMBL11758185 0.83 HTT (0.58) SIRT2SIRT1TGM2HTTFOLH1
SCHEMBL6421454 0.83 TGM2 (0.58) TGM2HTTFOLH1DPP8DPP7
SCHEMBL11000431 0.83 HTT (0.58) TGM2HTTFOLH1DPP8DPP7

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-4983328-A ANTITUMOR AGENTS BRISTOL-MYERS COMPANY (US) 1991-01-08 US disclosed
US-4518532-A ANTITIMOR ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-05-21 US disclosed