SCHEMBL19971070

SCHEMBL19971070

NCC(O)COCC(O)COCC(O)CN

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.39
GABRR1 P24046 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
ALOX15 P16050 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33

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
SCHEMBL1160224 0.97 HTT (0.54) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL29342942 0.89 HTT (0.45) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL29336252 0.89 HTT (0.45) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL14577869 0.87 HTT (0.53) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10039269 0.87 HTT (0.53) HTTKMT2AMEN1ALDH1A1KDM4E
Trimethylammonium SCHEMBL27533201 0.86 HTT (0.52) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL29263914 0.86 HTT (0.47) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3883091 0.85 HTT (0.61) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL18377101 0.85
SCHEMBL20825404 0.84 HTT (0.50) HTTKMT2AMEN1ALDH1A1KDM4E

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-1958685-B1 Selective membrane having a high fouling resistance SAEHAN IND INC (KR) 2018-03-21 EP claimed
EP-1958685-B1 Selective membrane having a high fouling resistance SAEHAN IND INC (KR) 2018-03-21 EP disclosed