SCHEMBL21115682

SCHEMBL21115682

C=CC(=O)OCCc1ccc(-c2ccc(NC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.43
TSHR P16473 5/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MET P08581 3/20 0.40
CA12 O43570 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CA1 P00915 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HPGD P15428 1/20 0.39
THRA P10827 1/20 0.39
CYP3A4 P08684 1/20 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
SCHEMBL24788139 0.96 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL20925178 0.92 THRB (0.45) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL12032270 0.88 TSHR (0.53) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL24788140 0.85 L3MBTL1 (0.41) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL23128593 0.85 THRB (0.39) THRBHCAR2ROCK2
SCHEMBL12317386 0.85 TGM2 (0.41) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9806249 0.83 TSHR (0.59) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL144847 0.82 THRB (0.59) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17914469 0.81 TSHR (0.53) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL18699696 0.81 SMN1; SMN2 (0.52) THRBTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3502210-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-09-09 EP disclosed
EP-3504292-B1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2020-05-27 EP disclosed
EP-3502210-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2019-06-26 EP disclosed