SCHEMBL25908423

SCHEMBL25908423

O=COCCOCCOCCOCCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TSHR P16473 5/20 0.53
MAPK1 P28482 1/20 0.53
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL22041029 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1010288 1.00
SCHEMBL3081170 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
Ethylene Glycol SCHEMBL15570614 0.97 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL7094967 0.93 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL813378 0.86 ALDH1A1 (0.32) MEN1KMT2ATSHRALDH1A1TP53
SCHEMBL126792 0.86 ALDH1A1 (0.32) MEN1KMT2ATSHRALDH1A1TP53
SCHEMBL827285 0.86 ALDH1A1 (0.32) MEN1KMT2ATSHRALDH1A1TP53
SCHEMBL6578756 0.85 MEN1 (0.39) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL15376842 0.83 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB

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-2023216533-A1 INDOLE ALKALOID, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京中医药大学 2023-11-16 WO disclosed
EP-4101846-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2023-08-02 EP disclosed