SCHEMBL4476063

SCHEMBL4476063

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RECQL P46063 1/20 0.50
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 3/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46

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
SCHEMBL4476068 1.00 KMT2A (0.51) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL28775044 0.85 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL840738 0.85 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL28546278 0.84 GPR132 (0.46) KMT2AMEN1SMN1; SMN2MAPTCYP2C9
SCHEMBL840740 0.81 KMT2A (0.43) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL840739 0.81 KMT2A (0.43) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL4474873 0.81 KMT2A (0.61) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL4474867 0.81 KMT2A (0.61) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL28546284 0.79 PTPN1 (0.41) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL839052 0.75 KMT2A (0.44) KMT2AMEN1SMN1; SMN2MAPTLMNA

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