SCHEMBL20204440

SCHEMBL20204440

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
LMNA P02545 2/20 0.38
POLB P06746 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
TP53 P04637 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
SCHEMBL22168536 0.92 THRB (0.40) THRBLMNAPOLBMEN1NPC1
SCHEMBL20629507 0.90 THRB (0.42) THRBPOLBMEN1NPC1RAB9A
SCHEMBL20629656 0.83 THRB (0.40) THRBPOLBMEN1NPC1RAB9A
SCHEMBL26225954 0.83 THRB (0.37) THRBPOLBMEN1NPC1RAB9A
SCHEMBL23230272 0.80 LMNA (0.38) THRBLMNATSHRCA1CA2
SCHEMBL20808497 0.79 THRB (0.32) THRBLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL21949372 0.78 THRB (0.33) THRBLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL26309242 0.78 THRB (0.40) THRBLMNATSHRSMN1; SMN2HPGD
SCHEMBL20629129 0.76 THRB (0.35) THRBTSHRALDH1A1CA1CA2
SCHEMBL22698340 0.76 THRB (0.46) THRBLMNAPOLBTSHRALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11285240-B2 Particles MICROVENTION, INC. (US) 2022-03-29 US disclosed
US-20200397942-A1 PARTICLES MICROVENTION, INC. 2020-12-24 US disclosed
US-10792390-B2 Particles MICROVENTION, INC. (US) 2020-10-06 US disclosed
US-20200121824-A1 PARTICLES MICROVENTION, INC. 2020-04-23 US disclosed
US-20190343982-A1 PARTICLES MICROVENTION, INC. 2019-11-14 US disclosed
US-20180147317-A1 PARTICLES MICROVENTION, INC. 2018-05-31 US disclosed