SCHEMBL31476880

SCHEMBL31476880

O=C1OC(NCCOCCO)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 3/20 0.43
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
APAF1 O14727 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL28548849 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10NPC1GAA
Phthalic Anhydride SCHEMBL185274 0.68 ALOX15 (0.58) ALDH1A1HSD17B10GAA
Phthalic Anhydride SCHEMBL28323891 0.67 ALOX15 (0.56) ALDH1A1HSD17B10GAA
SCHEMBL11286713 0.67 GAA (0.53) ALDH1A1KDM4EHSD17B10NPC1GAA
SCHEMBL29612422 0.66 GAA (0.53) ALDH1A1KDM4EGAALMNAMAPT
SCHEMBL28337901 0.66 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10NPC1GAA
Ammonia Solution, Strong SCHEMBL11289851 0.65 GAA (0.51) ALDH1A1KDM4EHSD17B10NPC1GAA
SCHEMBL1782935 0.65 KMT2A (0.60) LMNASMN1; SMN2
SCHEMBL28484297 0.65 GAA (0.51) ALDH1A1KDM4ENPC1GAAHTT
SCHEMBL2728660 0.64 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10LMNAMAPT

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-119730847-A NRF2 protein degradation agent 盖尼米德肿瘤学股份有限公司 2025-03-28 CN disclosed