SCHEMBL21115673

SCHEMBL21115673

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccccc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1OCCC(CO)(CO)CCCCC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARA Q07869 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CNR2 P34972 3/20 0.31
CNR1 P21554 2/20 0.31
IDO1 P14902 3/20 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
SCHEMBL21115667 0.97 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL21115630 0.95 TSHR (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL21096714 0.92 PPARD (0.33) TSHRNR1H2NR1H3IDO1
SCHEMBL22540579 0.91 THRA (0.35) TSHR
SCHEMBL21115966 0.91 IDO1 (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070471 0.91 THRA (0.35) TSHR
SCHEMBL20288237 0.91 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL21097804 0.91 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070530 0.91 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL21675387 0.91 TSHR (0.37) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3502209-B1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed