SCHEMBL31471669

SCHEMBL31471669

CCCCCCCOB(O)OCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
LPAR3 Q9UBY5 6/20 0.43
LPAR2 Q9HBW0 5/20 0.43
LPAR1 Q92633 2/20 0.43
NAAA Q02083 1/20 0.43
TSHR P16473 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CES2 O00748 1/20 0.41
GBA1 P04062 1/20 0.41
EPHX1 P07099 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL18279953 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL31510166 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL4920757 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL28121 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL1554117 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL3889693 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL3648395 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL10632891 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL4190026 0.97 THRB (0.43) THRBMEN1KMT2AHTTMAPT
SCHEMBL28119 0.97 THRB (0.43) THRBMEN1KMT2AHTTMAPT

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-119581659-A Electrolyte and secondary battery 中南大学 2025-03-07 CN disclosed