SCHEMBL9509301

SCHEMBL9509301

O=C(O)CC(C(=O)O)[n+]1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CPA1 P15085 2/20 0.35
CPB1 P15086 1/20 0.35
CPA3 P15088 1/20 0.35
CPB2 Q96IY4 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
FOLH1 Q04609 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
GABRR1 P24046 2/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL13700853 0.78 TDP1 (0.39) TDP1SMN1; SMN2CPA1CPB1CPA3
SCHEMBL13464630 0.78 ALDH1A1 (0.40) SMN1; SMN2CPA1CPB1CPA3CPB2
SCHEMBL30323502 0.77 LMNA (0.49) SMN1; SMN2CPA1CPB1CPA3CPB2
SCHEMBL5533761 0.74 CHRM1 (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL5535646 0.71 MAPK1 (0.44) TDP1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9425696 0.70 KMT2A (0.44)
SCHEMBL5533710 0.69 ACE2 (0.49)
SCHEMBL5533237 0.69 ACE2 (0.49)
SCHEMBL5538410 0.69 ACE2 (0.49)
SCHEMBL5531402 0.69 ACE2 (0.49)

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-0552185-A1 SYNTHESIS OF OLIGONUCLEOTIDES ZENECA LIMITED (GB) 1993-07-28 EP disclosed