SCHEMBL838833

SCHEMBL838833

CCC[C@](NC(=O)c1ccco1)(C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
HPGD P15428 4/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2C9 P11712 2/20 0.47
AHR P35869 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
TP53 P04637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 6/20 0.45
POLB P06746 2/20 0.44
MAPK1 P28482 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
SCHEMBL838834 1.00 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL840740 0.83 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL840739 0.83 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4474867 0.81 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4474873 0.81 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL840335 0.76 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL840334 0.76 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL838832 0.75 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11985611 0.70 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL26644596 0.70 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1HPGDNPC1

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