SCHEMBL31456124

SCHEMBL31456124

O=C(O)c1ccc(C2OCCCO2)o1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
S1PR1 P21453 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL11097613 0.93 TDP1 (0.41) TDP1S1PR1HTTALDH1A1HPGD
SCHEMBL4257766 0.73 S1PR1 (0.57) TDP1S1PR1HTTALDH1A1HPGD
SCHEMBL20856090 0.71 S1PR1 (0.47) TDP1S1PR1HTTALDH1A1HPGD
Cyclohexane SCHEMBL28476349 0.71 TDP1 (0.54) TDP1HTTALDH1A1HPGDPOLB
Fluoride SCHEMBL20513066 0.71 TDP1 (0.58) TDP1HTTALDH1A1HPGDPOLB
Fluoride SCHEMBL21331933 0.71 TDP1 (0.58) TDP1HTTALDH1A1HPGDPOLB
Potassium SCHEMBL31706685 0.70 S1PR1 (0.46) TDP1S1PR1HTTALDH1A1HPGD
SCHEMBL31456131 0.69 POLB (0.41) TDP1HTTALDH1A1POLBSMN1; SMN2
SCHEMBL4138249 0.69 NPC1 (0.42) S1PR1ALDH1A1HPGDPOLBNPSR1
SCHEMBL38726 0.68 TDP1 (0.61) TDP1ALDH1A1HPGDPOLBMEN1

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
CN-119775235-A Method for preparing 5-formyl-2-furancarboxylic acid 中科国生(泰兴)新材料科技有限公司 2025-04-08 CN disclosed