SCHEMBL31336631

SCHEMBL31336631

c1cc(OCC2CO2)c2c3c([nH]c2c1)CCCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.38
EGFR P00533 4/20 0.37
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
SLC6A3 Q01959 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL11838861 1.00 ALDH1A1 (0.47) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL29363243 0.78 ALDH1A1 (0.53) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL619267 0.78 ALDH1A1 (0.53) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL2997257 0.78 ALDH1A1 (0.53) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL1351843 0.78 ALDH1A1 (0.53) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL4101907 0.77 HTR2C (0.54) ALDH1A1SMN1; SMN2TP53KDM4EEGFR
SCHEMBL9536750 0.77 ALDH1A1 (0.55) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL3979543 0.77 ALDH1A1 (0.51) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL25385740 0.75 ALDH1A1 (0.49) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL11555807 0.75 ALDH1A1 (0.52) ALDH1A1GLASMN1; SMN2TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350903-B Anti-corrosion fireproof sandwich structure coating for nuclear island and preparation method and application thereof 大厂金隅涂料有限责任公司 2025-05-13 CN claimed
CN-119350903-A Anti-corrosion fireproof sandwich structure coating for nuclear island and preparation method and application thereof 大厂金隅涂料有限责任公司 2025-01-24 CN claimed
CN-119350903-B Anti-corrosion fireproof sandwich structure coating for nuclear island and preparation method and application thereof 大厂金隅涂料有限责任公司 2025-05-13 CN disclosed
CN-119350903-A Anti-corrosion fireproof sandwich structure coating for nuclear island and preparation method and application thereof 大厂金隅涂料有限责任公司 2025-01-24 CN disclosed