SCHEMBL20629656

SCHEMBL20629656

C=C(C)C(=O)OCCOC(=O)c1c(C)c(C)c(CC)c(NC(C)=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 2/20 0.31
RECQL P46063 1/20 0.31
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL20629507 0.87 THRB (0.42) THRBTSHRALDH1A1POLBKMT2A
SCHEMBL20204440 0.83 THRB (0.40) THRBTSHRALDH1A1POLBKMT2A
SCHEMBL26225954 0.80 THRB (0.37) THRBTSHRALDH1A1POLBKMT2A
SCHEMBL22168536 0.78 THRB (0.40) THRBTSHRALDH1A1POLBKMT2A
SCHEMBL20629129 0.73 THRB (0.35) THRBTSHRALDH1A1CA1CA2
SCHEMBL26309543 0.70 THRB (0.43) THRBTSHRALDH1A1POLBKMT2A
SCHEMBL7054333 0.69 THRB (0.41) THRBTSHRALDH1A1POLBCA1
SCHEMBL23230272 0.69 LMNA (0.38) THRBTSHRCA1CA2
SCHEMBL13967508 0.68 THRB (0.53) THRBTSHRALDH1A1POLBCA1
SCHEMBL9720843 0.66 THRB (0.50) THRBTSHRALDH1A1POLBCA1

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-3137124-B1 POLYMERS INCLUDING ACTIVE AGENTS MICROVENTION INC (US) 2019-01-09 EP disclosed