SCHEMBL9768950

SCHEMBL9768950

NCC(=O)OC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.51
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
TPSAB1 Q15661 2/20 0.49
TPSD1 Q9BZJ3 2/20 0.49
TPSG1 Q9NRR2 2/20 0.49
PRSS1 P07477 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
ATM Q13315 1/20 0.48
PLAU P00749 1/20 0.48
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46

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
SCHEMBL10641387 0.92 LMNA (0.61) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL10081124 0.84 LMNA (0.63) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL10429420 0.83 LMNA (0.58) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL13644307 0.83 LMNA (0.58) LMNASMN1; SMN2ALDH1A1HTTCTSL
Glycine SCHEMBL8366779 0.83 HTT (0.59) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL2065470 0.81 SMN1; SMN2 (0.59) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL10429418 0.80 LMNA (0.58) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL3361808 0.80 LMNA (0.61) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL2820683 0.80 LMNA (0.61) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL5485588 0.80 LMNA (0.61) LMNASMN1; SMN2ALDH1A1HTTCTSL

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-4992534-A Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-12 US disclosed