SCHEMBL14729295

SCHEMBL14729295

O=C(CCCCCNC(=O)OCc1ccccc1)NO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.69
TGM2 P21980 1/20 0.65
HDAC1 Q13547 8/20 0.64
HDAC2 Q92769 8/20 0.64
HDAC3 O15379 7/20 0.64
HDAC8 Q9BY41 7/20 0.64
HDAC10 Q969S8 5/20 0.64
HDAC11 Q96DB2 5/20 0.64
HDAC6 Q9UBN7 5/20 0.64
HDAC4 P56524 4/20 0.64
HDAC7 Q8WUI4 4/20 0.64
HDAC9 Q9UKV0 4/20 0.64
HDAC5 Q9UQL6 4/20 0.64
NCOR2 Q9Y618 3/20 0.61
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALOX5 P09917 1/20 0.59
KEAP1 Q14145 2/20 0.59
NFE2L2 Q16236 2/20 0.59
FOLH1 Q04609 2/20 0.58

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
SCHEMBL27860862 1.00 HTT (0.69) HTTTGM2HDAC1HDAC2HDAC3
SCHEMBL32681311 0.99 HTT (0.71) HTTTGM2HDAC1HDAC2HDAC3
SCHEMBL9340146 0.89 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.89 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.89 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9132655 0.89 HTT (0.79) HTTTGM2HDAC1HDAC2HDAC3
SCHEMBL22168449 0.89 HTT (0.66) HTTTGM2HDAC1HDAC2HDAC3
SCHEMBL19400320 0.89 HTT (0.66) HTTTGM2HDAC1HDAC2HDAC3
SCHEMBL2876850 0.88 HTT (0.88) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL125577 0.88 HTT (0.88) HTTTGM2LMNASMN1; SMN2KEAP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013028664-A1 PSMA IMAGING AGENTS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-02-28 WO disclosed