SCHEMBL29210396

SCHEMBL29210396

COc1cc(OC)cc(C(O)C(=O)c2ccccc2OC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
XBP1 P17861 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL3364276 0.84 HPGD (0.42) HPGDKDM4EHSD17B10HTTNPC1
SCHEMBL124171 0.82 LMNA (0.52) HPGDKDM4EHSD17B10TSHRMEN1
SCHEMBL139044 0.78 CES2 (0.59) KDM4EHTTNPC1RAB9ASMN1; SMN2
Bicarbonate SCHEMBL291493 0.77 CES2 (0.58) KDM4EHTTNPC1RAB9ASMN1; SMN2
SCHEMBL277654 0.76 HPGD (0.56) HPGDKDM4EHSD17B10HTTNPC1
Acetic Acid SCHEMBL3368380 0.76 CES2 (0.56) KDM4EHTTNPC1RAB9ASMN1; SMN2
SCHEMBL10353077 0.75 GAA (0.49) KDM4EHTTNPC1RAB9ASMN1; SMN2
Methoxymethane SCHEMBL5593577 0.75 HPGD (0.55) HPGDKDM4EHSD17B10HTTNPC1
SCHEMBL126209 0.75 KMT2A (0.44) HPGDKDM4EHSD17B10HTTNPC1
Carbamic Acid SCHEMBL1695357 0.74 CES2 (0.54) KDM4EHTTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025050647-A1 IONIZABLE CATIONIC LIPID COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 晟迪生物医药(苏州)有限公司 2025-03-13 WO disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed