SCHEMBL7398134

SCHEMBL7398134

C=CCC(C)(NC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.35
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
MAPT P10636 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL17038980 0.83 MAPT (0.31) ALDH1A1MAPTMMP1MMP2MMP3
SCHEMBL23098246 0.83 MAPT (0.31) ALDH1A1MAPTMMP1MMP2MMP3
SCHEMBL17038909 0.83 MAPT (0.31) ALDH1A1MAPTMMP1MMP2MMP3
SCHEMBL9659071 0.81 ALDH1A1 (0.36) TSHRALDH1A1NAALAD2HTTMEN1
SCHEMBL23098247 0.81 HTT (0.38) HTT
SCHEMBL3485811 0.79 NAALAD2 (0.41) TSHRALDH1A1NAALAD2HTTMEN1
SCHEMBL18673261 0.78 ABCC4 (0.39) TSHRALDH1A1NAALAD2MAPT
SCHEMBL24633782 0.76 ALDH1A1 (0.37) TSHRALDH1A1NAALAD2HTTMEN1
SCHEMBL24633938 0.76 ALDH1A1 (0.37) TSHRALDH1A1NAALAD2HTTMEN1
Boric Acid SCHEMBL29152969 0.75 NAALAD2 (0.34) TSHRALDH1A1NAALAD2

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-1183238-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-03-06 EP disclosed
WO-2000069816-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-11-23 WO disclosed