SCHEMBL21980706

SCHEMBL21980706

CC(C)(C)NC(=O)c1ccc(C(=O)C(C)(C)C)o1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MEN1 O00255 1/20 0.37
KLK7 P49862 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
NPY1R P25929 1/20 0.36

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
SCHEMBL23682809 0.84 HDAC6 (0.44) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL9282506 0.79 KLK7 (0.59) ALDH1A1LMNASMN1; SMN2HTTKLK7
SCHEMBL13753590 0.78 MITF (0.55) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL16142979 0.78 ALDH1A1 (0.58) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL28509855 0.76 ALDH1A1 (0.45) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL21977213 0.75 MLYCD (0.50) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL8475504 0.74 ALDH1A1 (0.43) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL12867819 0.73 MAOA (0.44) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL1487258 0.73 ALDH1A1 (0.59) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL16232910 0.73 LMNA (0.58) ALDH1A1LMNAKMT2AHTTMEN1

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
EP-2691441-B1 POLYAMIDE COMPOUND AND MOLDED ARTICLE THEREOF CANON KK (JP) 2020-05-06 EP disclosed