SCHEMBL27613664

SCHEMBL27613664

O=C(O)c1cccc(C(=O)O)c1N1CCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HPGD P15428 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
CMA1 P23946 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41

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
SCHEMBL17185095 0.89 ALDH1A1 (0.51) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL16057602 0.87 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL3687116 0.85 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL16058345 0.83 ALDH1A1 (0.46) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL1280419 0.81 ALDH1A1 (0.54) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL7931306 0.81 ALDH1A1 (0.52) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL5222827 0.80 TSHR (0.50) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL5853684 0.80 ALDH1A1 (0.51) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL31056512 0.77 APOBEC3A (0.52) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL16057603 0.76 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9

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
CN-100440609-C Battery SONY CORP (JP) 2008-12-03 CN disclosed
CN-1610171-A Battery SONY CORP (JP) 2005-04-27 CN disclosed