SCHEMBL22971850

SCHEMBL22971850

CCCCCCOC(C)(NC)OCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
THRB P10828 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
LPAR3 Q9UBY5 6/20 0.34
CA9 Q16790 6/20 0.34
LPAR2 Q9HBW0 5/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
LPAR1 Q92633 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34

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
SCHEMBL20145294 0.78 EPHX1 (0.39) EPHX1THRBTSHR
SCHEMBL10581587 0.76 EPHX1 (0.39) EPHX1THRBTSHRMEN1HTT
SCHEMBL7918378 0.75 CA1 (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL4493956 0.75 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL278721 0.75 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL24829886 0.75 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL2647917 0.75 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL7927231 0.75 CA1 (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL4505591 0.75 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL20145107 0.75 THRB (0.44) 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
WO-2021026316-A1 ACID-LABILE SURFACTANTS PROMEGA CORPORATION (US) 2021-02-11 WO disclosed