SCHEMBL6264012

SCHEMBL6264012

Cc1cccc(C)c1N[C@@H](C)C(=O)O.Cc1cccc(C)c1N[C@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
ATM Q13315 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
PYGL P06737 1/20 0.40
NLRP3 Q96P20 1/20 0.40
PTGS2 P35354 1/20 0.40
ANPEP P15144 1/20 0.40
LMNA P02545 1/20 0.40
P2RX7 Q99572 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL1900149 1.00 POLB (0.43) POLBATMHSP90AA1MAPK1ALDH1A1
SCHEMBL4411485 1.00 POLB (0.43) POLBATMHSP90AA1MAPK1ALDH1A1
SCHEMBL4411484 1.00 POLB (0.43) POLBATMHSP90AA1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL14988824 0.98 POLB (0.42) POLBATMHSP90AA1MAPK1ALDH1A1
SCHEMBL9777508 0.86 POLB (0.52) POLBMAPK1ALDH1A1KMT2AMEN1
SCHEMBL9777510 0.86 POLB (0.52) POLBMAPK1ALDH1A1KMT2AMEN1
SCHEMBL11245214 0.84 ATM (0.42) POLBATMHSP90AA1MAPK1ALDH1A1
SCHEMBL14809396 0.82 DRD2 (0.45) POLBATMHSP90AA1MAPK1ALDH1A1
SCHEMBL11200131 0.81 LMNA (0.42) POLBATMHSP90AA1ALDH1A1L3MBTL1
SCHEMBL11057770 0.81 LMNA (0.42) POLBATMHSP90AA1ALDH1A1L3MBTL1

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
EP-1587943-A1 METHOD FOR PREPARING A (R)- OR (S)- FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE AND A COUNTER ENANTIOMERIC FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE ESTER THERETO USING ENZYME LG Life Sciences Ltd. (KR) 2005-10-26 EP disclosed
WO-2004055195-A1 METHOD FOR PREPARING A (R)- OR (S)- FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE AND A COUNTER ENANTIOMERIC FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE ESTER THERETO USING ENZYME LG LIFE SCIENCES LTD. (KR) 2004-07-01 WO disclosed