SCHEMBL11246680

SCHEMBL11246680

O=C(O)c1c[nH]c2cc(OCC(O)COc3ccc4c(=O)c(C(=O)O)c[nH]c4c3)ccc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDH2 P40926 2/20 0.68
ALDH1A1 P00352 2/20 0.68
HPGD P15428 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
ALOX12 P18054 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL11235287 0.90 HTT (0.70) MDH2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL11403307 0.84 GABRA1 (0.56) MDH2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL30467553 0.80 MDH2 (0.62) MDH2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL3709669 0.80 ALDH1A1 (0.64) MDH2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL3745105 0.76 MDH2 (0.60) MDH2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL2976313 0.76 ALDH1A1 (0.65) MDH2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL10321838 0.75 MDH2 (0.59) MDH2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4776415 0.75 PRKAB2 (0.63) MDH2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL11273297 0.75 GABRA1 (0.65) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL2010976 0.74 HTT (0.81) MDH2ALDH1A1HPGDSMN1; SMN2HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012925-B1 QUINOLON-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1982-11-10 EP claimed
US-4289777-A Quinolonecarboxylic acid derivatives and pharmaceutical preparations thereof for treatment of an allergic disease of the respiratory tract SCHERING, AKTIENGESELLSCHAFT (DE) 1981-09-15 US claimed
EP-0012925-A1 Quinolon-carboxylic acid derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-07-09 EP claimed
EP-0012925-B1 QUINOLON-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1982-11-10 EP disclosed
US-4289777-A Quinolonecarboxylic acid derivatives and pharmaceutical preparations thereof for treatment of an allergic disease of the respiratory tract SCHERING, AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed
EP-0012925-A1 Quinolon-carboxylic acid derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-07-09 EP disclosed