SCHEMBL840738

SCHEMBL840738

CCOC(=O)[C@](C)(NC(=O)c1ccco1)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 7/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.41
PHGDH O43175 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADA P00813 1/20 0.41

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
SCHEMBL28775044 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL4476068 0.85 KMT2A (0.51) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL4476063 0.85 KMT2A (0.51) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL838832 0.84 KMT2A (0.51) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL840740 0.75 KMT2A (0.43) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL840739 0.75 KMT2A (0.43) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL8469055 0.73 GAA (0.50) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL9423122 0.73 MAOB (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL839050 0.70 TACR1 (0.54) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7905198 0.70 GAA (0.44) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1

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-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed