SCHEMBL14969758

SCHEMBL14969758

CC[C@H](CC(=O)C(=O)O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FABP4 P15090 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
GRN P28799 2/20 0.35
SORT1 Q99523 2/20 0.35
DHODH Q02127 1/20 0.34
EGFR P00533 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HCAR3 P49019 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8996235 0.83 HTT (0.38) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL8996290 0.83 HTT (0.38) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL3264041 0.81 L3MBTL1 (0.49) MEN1KMT2AMAPTHTTL3MBTL1
SCHEMBL8996137 0.81 L3MBTL1 (0.49) MEN1KMT2AMAPTHTTL3MBTL1
SCHEMBL3264038 0.81 L3MBTL1 (0.49) MEN1KMT2AMAPTHTTL3MBTL1
SCHEMBL14969761 0.79 CRHR1 (0.42) MEN1KMT2AMAPTHTTL3MBTL1
SCHEMBL8996387 0.77 L3MBTL1 (0.41) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL8996383 0.77 L3MBTL1 (0.41) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL1531548 0.73 GRN (0.46) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL1531545 0.73 GRN (0.46) MEN1KMT2AMAPTRAB9ANPSR1

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
EP-1594843-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE beta-amino acid derivative TAKASAGO PERFUMERY CO LTD (JP) 2013-05-22 EP disclosed