SCHEMBL28650718

SCHEMBL28650718

CCCCCCCCOC(CCSSSSCCC(OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
CES2 O00748 1/20 0.31
TSHR P16473 1/20 0.31
CES1 P23141 1/20 0.31
LPAR3 Q9UBY5 6/20 0.31
CA1 P00915 6/20 0.31
CA2 P00918 6/20 0.31
CA9 Q16790 6/20 0.31
LPAR2 Q9HBW0 5/20 0.31
LPAR1 Q92633 2/20 0.31
CA12 O43570 2/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 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
SCHEMBL8153466 0.92 THRB (0.33) THRBMEN1HTTKMT2AMAPT
SCHEMBL31232448 0.92 THRB (0.33) THRBMEN1HTTKMT2AMAPT
SCHEMBL29001375 0.76
SCHEMBL28566311 0.72 THRB (0.33) THRBMEN1HTTKMT2AMAPT
SCHEMBL11241966 0.72 THRB (0.33) THRBMEN1HTTKMT2AMAPT
SCHEMBL26106906 0.72 LPAR3 (0.43) THRBMEN1HTTKMT2AMAPT
SCHEMBL11791100 0.72 LPAR3 (0.43) THRBMEN1HTTKMT2AMAPT
SCHEMBL28938856 0.71 THRB (0.36) THRBMEN1HTTKMT2AMAPT
SCHEMBL28727826 0.71 THRB (0.36) THRBMEN1HTTKMT2AMAPT
SCHEMBL28638794 0.71 THRB (0.36) THRBMEN1HTTKMT2AMAPT

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-113667194-A Pneumatic tire 固特异轮胎和橡胶公司 2021-11-19 CN disclosed