SCHEMBL6557409

SCHEMBL6557409

C=CC(=O)OC[C@H]1CC[C@H](COC(=O)C=C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 3/20 0.37
LMNA P02545 1/20 0.37
THRA P10827 1/20 0.37
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
PTGIR P43119 2/20 0.32
PTGDR Q13258 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL421446 1.00 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3678063 1.00
SCHEMBL12154290 0.94 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1963100 0.94 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23837211 0.94 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL93519 0.92 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL280546 0.92 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20685518 0.92 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL268391 0.91 LMNA (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28027884 0.91 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570335-B2 Liquid crystal medium containing polymerisable compounds MERCK PATETN GMBH (DE) 2020-02-25 US disclosed
US-20180187080-A1 LIQUID CRYSTAL MEDIUM CONTAINING POLYMERISABLE COMPOUNDS MERCK PATENT GMBH (DE) 2018-07-05 US disclosed
US-20180187080-A1 LIQUID CRYSTAL MEDIUM CONTAINING POLYMERISABLE COMPOUNDS MERCK PATENT GMBH (DE) 2018-07-05 US disclosed
EP-1051454-B1 LIQUID-CRYSTALLINE PHOTOCROSSLINKABLE MIXTURE ROLIC AG (CH) 2004-03-10 EP disclosed
US-6548127-B1 Reducing the formation of tilt domains by mixing two non-crosslinked monomers each with two terminal polymerizable groups with anon-liquid-crystalline monomer, and crosslinking; optical or electrooptical devices ROLIC AG (CH) 2003-04-15 US disclosed