SCHEMBL11238853

SCHEMBL11238853

CCOC(=O)/C(=C(/C)N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
CYP19A1 P11511 3/20 0.47
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL11238855 1.00 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7093267 0.88 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11857829 0.87 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL319889 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL319886 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11630836 0.86 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11445101 0.86 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11445100 0.86 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29117925 0.86 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL30542103 0.83 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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-4358606-A Esters of phenalkyloxycarbonylamino acids ZOECON CORPORATION (US) 1982-11-09 US disclosed