SCHEMBL4474873

SCHEMBL4474873

COc1ccc(C(C)(NC(=O)c2ccco2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
MAPT P10636 6/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 4/20 0.56
KDM4E B2RXH2 2/20 0.56
AHR P35869 1/20 0.56
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
CYP2C9 P11712 3/20 0.53
HTT P42858 2/20 0.53
RECQL P46063 2/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
LMNA P02545 2/20 0.48

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
SCHEMBL4474867 1.00 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL838832 0.86 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL838834 0.81 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL838833 0.81 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL28536711 0.81 MAPT (0.55) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4476068 0.81 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL4476063 0.81 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL6633618 0.77 KMT2A (0.89) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL1969125 0.77 MAPT (0.49) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL1970964 0.77 MAPT (0.49) KMT2AMEN1MAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042260-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE (S OR R)-ALPHA-AMINO ACID AND OPTICALLY ACTIVE (R OR S)-ALPHA-AMINO ACID ESTER UBE INDUSTRIES, LTD. (JP) 2009-02-12 US disclosed
EP-1942193-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE (S OR R)-a-AMINO ACID OR OPTICALLY ACTIVE (S OR R)-a -AMINO ACID ESTER Ube Industries, Ltd. (JP) 2008-07-09 EP disclosed