SCHEMBL7843917

SCHEMBL7843917

CCOC(=O)Cc1[nH]c(CCCCCNC(=O)OCc2ccccc2)nc1-c1ccccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
TGM2 P21980 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL7843281 0.77 HTT (0.47) BRD4TGM2HTTKEAP1NFE2L2
SCHEMBL6790812 0.69 TNKS (0.59) TGM2KDM4EHTTKMT2ALMNA
SCHEMBL21559798 0.68 HTT (0.72) TGM2HTTKEAP1NFE2L2HDAC3
SCHEMBL9772171 0.68 HTT (0.60) TGM2HTTKEAP1NFE2L2HDAC3
SCHEMBL9340146 0.68 HTT (0.79) TGM2HTTKEAP1NFE2L2L3MBTL1
SCHEMBL9874334 0.68 HTT (0.79) TGM2HTTKEAP1NFE2L2L3MBTL1
SCHEMBL15346534 0.68 HTT (0.79) TGM2HTTKEAP1NFE2L2L3MBTL1
SCHEMBL8107485 0.67 MTNR1A (0.65) TGM2KDM4EPOLBHTTMEN1
SCHEMBL10599151 0.67 HTT (0.68) TGM2HTTKEAP1NFE2L2SIRT2
SCHEMBL16692630 0.67 HTT (0.68) TGM2HTTKEAP1NFE2L2SIRT2

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-1140942-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-10 EP disclosed
WO-2000039130-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2000-07-06 WO disclosed