SCHEMBL14158525

SCHEMBL14158525

N[C@]1(C(=O)O)C[C@H](C(=O)O)C[C@H]1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 1.00
CYP1A2 P05177 3/20 0.54
ALOX15 P16050 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GRM2 Q14416 10/20 0.47
GRM4 Q14833 8/20 0.47
GRM6 O15303 6/20 0.47
GRM5 P41594 6/20 0.47
GRM3 Q14832 5/20 0.47
GRM1 Q13255 5/20 0.47
CYP2C19 P33261 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
GRM8 O00222 2/20 0.47
LMNA P02545 1/20 0.47
MTOR P42345 1/20 0.47
PLCB1 Q9NQ66 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14158524 1.00 SLC6A4 (1.00) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL2229860 1.00 SLC6A4 (1.00) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL179722 1.00 SLC6A4 (1.00) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL25660676 0.80 SLC6A4 (0.65) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL5479431 0.80 SLC6A4 (0.65) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL4755338 0.74 SLC6A4 (0.59) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL9088184 0.71 SLC6A4 (0.55) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL15514216 0.71 SLC6A4 (0.55) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL1064244 0.70 CYP1A2 (1.00) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E
SCHEMBL1063416 0.70 CYP1A2 (1.00) SLC6A4CYP1A2ALOX15ALDH1A1KDM4E

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
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed