SCHEMBL27645874

SCHEMBL27645874

N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(=O)C(O)C(O)C(=O)OC(=O)[C@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
KDM4E B2RXH2 3/20 0.67
LMNA P02545 3/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
TSHR P16473 2/20 0.67
BLM P54132 2/20 0.67
PMP22 Q01453 2/20 0.67
MPO P05164 1/20 0.67
HIF1A Q16665 1/20 0.67
TACR1 P25103 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
HTR2A P28223 3/20 0.54
HTR1A P08908 2/20 0.54
HTR2C P28335 2/20 0.54
SLC6A4 P31645 2/20 0.54
HTR7 P34969 2/20 0.54
HTR2B P41595 2/20 0.54
ADRB1 P08588 1/20 0.54
ADRA2A P08913 1/20 0.54

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
SCHEMBL28789652 0.95 KMT2A (0.68) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL475351 0.95 MAPT (0.74) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL289044 0.95 MAPT (0.74) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL4261073 0.90 MAPT (0.67) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL21059260 0.89 MAPT (0.70) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL5860609 0.89 MAPT (0.56) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL120931 0.88 KDM4E (0.69) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL5065255 0.88 KDM4E (0.65) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL8406415 0.88 MAPT (0.65) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL17503190 0.88 MAPT (0.72) MAPTKDM4ELMNAKMT2AMEN1

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
CN-1876631-A Method for preparing D-tryptophan using asymmetric conversion method ANHUI HORAE NEW TECHNOLOGY DEV (CN) 2006-12-13 CN claimed
CN-1876631-A Method for preparing D-tryptophan using asymmetric conversion method ANHUI HORAE NEW TECHNOLOGY DEV (CN) 2006-12-13 CN disclosed