SCHEMBL3346498

SCHEMBL3346498

C[C@@H](NC(=O)CCC(=O)O)c1ccccc1I

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.46
MME P08473 2/20 0.43
ACE P12821 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.40
PRCP P42785 1/20 0.40

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
SCHEMBL11205134 1.00 MAPT (0.47) MAPTHTTMMEACEALDH1A1
SCHEMBL287137 0.84 ALDH1A1 (0.47) MAPTHTTALDH1A1
SCHEMBL4090652 0.81 HTT (0.68) MAPTHTTALDH1A1L3MBTL1
SCHEMBL3076115 0.79 EPHX2 (0.55)
SCHEMBL910473 0.79 EPHX2 (0.55)
SCHEMBL3072384 0.79 EPHX2 (0.55)
SCHEMBL910474 0.79 EPHX2 (0.55)
SCHEMBL3069332 0.79 MAPT (0.71) MAPTALDH1A1CYP2C19
SCHEMBL3076773 0.79 MAPT (0.71) MAPTALDH1A1CYP2C19
SCHEMBL692819 0.79 MAPT (0.71) MAPTALDH1A1CYP2C19

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-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed