SCHEMBL11090487

SCHEMBL11090487

CC(C)(C)Oc1ccc(NCC#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 5/20 0.38
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPAS1 Q99814 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACACB O00763 3/20 0.35
HTT P42858 2/20 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
SCHEMBL4138445 0.84 MAPT (0.51) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL13185886 0.79 GAA (0.70) GAAALDH1A1CA2CA9MAPT
SCHEMBL28788611 0.79 MAPT (0.46) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL20334822 0.77 GAA (0.49) GAAALDH1A1CA2CA9MAPT
SCHEMBL2093805 0.76 MAPT (0.48) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL5250150 0.74 LMNA (0.50) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL49648 0.73 MAPT (0.54) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL21820734 0.73 PKM (0.42) GAAKMT2AACACBRAB9ACTSK
SCHEMBL26746 0.72 SLC6A2 (0.44) ALDH1A1CA2CA9MAPTMEN1
SCHEMBL11167613 0.71 HTT (0.58) GAAALDH1A1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034253-B1 4-TERT.-BUTOXY-PHENYL-GLYCINE NITRILE, AND PROCESS FOR THE PREPARATION OF D-(-)- AND L-(+)-4-HYDROXY-PHENYL GLYCINE BASF Aktiengesellschaft (DE) 1984-07-18 EP disclosed
EP-0034253-B1 4-TERT.-BUTOXY-PHENYL-GLYCINE NITRILE, AND PROCESS FOR THE PREPARATION OF D-(-)- AND L-(+)-4-HYDROXY-PHENYL GLYCINE BASF Aktiengesellschaft (DE) 1984-07-18 EP disclosed
US-4350641-A 4-Tert.-butoxyphenylglycinonitrile and the preparation of D-(-)- and L-(+)-4-hydroxyphenylglycine BASF AKTIENGESELLSCHAFT (DE) 1982-09-21 US disclosed
EP-0034253-A2 4-Tert.-butoxy-phenyl-glycine nitrile, and process for the preparation of D-(-)- and L-(+)-4-hydroxy-phenyl glycine BASF Aktiengesellschaft (DE) 1981-08-26 EP disclosed