SCHEMBL20145201

SCHEMBL20145201

CCCCCCOC(C)(O)OCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.45
THRB P10828 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
LPAR3 Q9UBY5 6/20 0.41
LPAR2 Q9HBW0 5/20 0.41
LPAR1 Q92633 2/20 0.41
NAAA Q02083 1/20 0.41
CES2 O00748 2/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
TSHR P16473 1/20 0.40
GBA1 P04062 1/20 0.40
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL11751399 0.93 CES1 (0.41) CES1THRBMEN1HTTKMT2A
SCHEMBL29024410 0.93 CES1 (0.41) CES1THRBMEN1HTTKMT2A
SCHEMBL8950371 0.93 CES1 (0.41) CES1THRBMEN1HTTKMT2A
SCHEMBL28164047 0.91 CES1 (0.38) CES1THRBMEN1HTTKMT2A
SCHEMBL31195333 0.90 TSHR (0.40) CES1THRBMEN1HTTKMT2A
SCHEMBL8769729 0.85 CES1 (0.45) CES1THRBMEN1HTTKMT2A
SCHEMBL13456958 0.85 CES1 (0.45) CES1THRBMEN1HTTKMT2A
SCHEMBL1899591 0.85 CES1 (0.45) CES1THRBMEN1HTTKMT2A
SCHEMBL15308094 0.85 CES1 (0.45) CES1THRBMEN1HTTKMT2A
Adipic Acid SCHEMBL224688 0.84 GPR84 (0.61) MEN1KMT2AMAPTTSHRLMNA

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