SCHEMBL13464630

SCHEMBL13464630

Cc1cc[n+](C(CC(=O)O)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
FFAR1 O14842 1/20 0.37
KMT2A Q03164 4/20 0.35
MAPT P10636 2/20 0.35
CPA1 P15085 2/20 0.34
GAA P10253 2/20 0.34
CPB1 P15086 1/20 0.34
CPA3 P15088 1/20 0.34
CPB2 Q96IY4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 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
SCHEMBL13700853 0.81 TDP1 (0.39) SMN1; SMN2LMNAKDM4EFFAR1KMT2A
SCHEMBL12789316 0.81 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL30323502 0.80 LMNA (0.49) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL15700568 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL9509301 0.78 TDP1 (0.39) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL13700842 0.74 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL18349239 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL18349243 0.73 CYP19A1 (0.41) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL28520388 0.70 LMNA (0.31) SMN1; SMN2LMNAHTT
Malic Acid SCHEMBL2465724 0.68 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2LMNAFFAR1KMT2A

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-2253031-B1 DYE SENSITISED SOLAR CELL BASF SE (DE) 2012-10-17 EP disclosed