SCHEMBL11065137

SCHEMBL11065137

O=C(O)CNC(=O)OCc1ccccc1.O=C1CCC(=O)N1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PLAU P00749 1/20 0.48
PREP P48147 2/20 0.46
GAA P10253 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
CASP1 P29466 1/20 0.46
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
FOLH1 Q04609 1/20 0.45

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
SCHEMBL126974 0.85 HTT (0.66) HTTALDH1A1LMNASMN1; SMN2PLAU
SCHEMBL11783251 0.85 HTT (0.66) HTTALDH1A1LMNASMN1; SMN2PLAU
Hydrochloric Acid SCHEMBL8688569 0.84 HTT (0.64) HTTALDH1A1LMNASMN1; SMN2PLAU
SCHEMBL10734606 0.81 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL1412214 0.80 TPSAB1 (0.50) HTTALDH1A1LMNASMN1; SMN2PREP
SCHEMBL30440860 0.80 ALDH1A1 (0.60) HTTALDH1A1LMNASMN1; SMN2PLAU
Glycine SCHEMBL8366779 0.80 HTT (0.59) HTTALDH1A1LMNASMN1; SMN2PLAU
SCHEMBL8178335 0.80 ALDH1A1 (0.60) HTTALDH1A1LMNASMN1; SMN2PLAU
SCHEMBL5873775 0.80 ALDH1A1 (0.60) HTTALDH1A1LMNASMN1; SMN2PLAU
SCHEMBL28663653 0.79 SMN1; SMN2 (0.54) HTTALDH1A1LMNASMN1; SMN2PLAU

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
US-4472379-A ANTILEUKEMIA AGENTS SUAMI T (JP) 1984-09-18 US disclosed