SCHEMBL20145107

SCHEMBL20145107

CCCCCCOC(C)(OCCCCCC)OCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 8/20 0.39
CA2 P00918 8/20 0.39
CA9 Q16790 7/20 0.39
LPAR3 Q9UBY5 6/20 0.39
LPAR2 Q9HBW0 5/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
LPAR1 Q92633 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 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
SCHEMBL11374678 1.00 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL11622968 0.93 THRB (0.38) THRBTSHRMEN1HTTKMT2A
SCHEMBL15256806 0.89 THRB (0.35) THRBTSHRMEN1HTTKMT2A
SCHEMBL15256852 0.89 DNM1 (0.56) TSHRMEN1KMT2ACA1CA2
SCHEMBL20145227 0.89 DNM1 (0.56) TSHRMEN1KMT2ACA1CA2
SCHEMBL19502469 0.89 THRB (0.35) THRBTSHRMEN1HTTKMT2A
SCHEMBL10762136 0.88 TSHR (0.44) THRBTSHRCA1CA2LMNA
SCHEMBL28729475 0.85 HTT (0.35) THRBTSHRMEN1HTTKMT2A
SCHEMBL15256772 0.85 DNM1 (0.52) TSHRMEN1KMT2ACA1CA2
SCHEMBL11621801 0.84 TSHR (0.35) THRBTSHRMEN1HTTKMT2A

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
EP-2646410-B1 NOVEL AGENTS FOR REWORKABLE EPOXY RESINS CONNORA TECH INC (US) 2018-05-16 EP disclosed