SCHEMBL20171729

SCHEMBL20171729

C=C(C)C(=O)OCCCc1cc(C2CCC(C3CCC(C4CCC(CCCCC)CC4)CC3)CC2)cc(CCCOC(=O)C(=C)C)c1OCCCS

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL20171727 0.92 TSHR (0.38) TSHRMEN1MAPTKMT2APOLB
SCHEMBL20171718 0.92 TSHR (0.38) TSHRMEN1MAPTKMT2APOLB
SCHEMBL20171701 0.92 TSHR (0.38) TSHRMEN1MAPTKMT2APOLB
SCHEMBL20171719 0.91 TSHR (0.32) TSHR
SCHEMBL20162025 0.88 TSHR (0.35) TSHR
SCHEMBL20171703 0.88 TSHR (0.35) TSHR
SCHEMBL20171736 0.88 TSHR (0.35) TSHR
SCHEMBL20171747 0.88 TSHR (0.35) TSHR
SCHEMBL20171750 0.88 TSHR (0.35) TSHR
SCHEMBL20171679 0.88 TSHR (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323872-B1 COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2020-04-15 EP disclosed
US-20180142152-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2018-05-24 US disclosed
US-20180142152-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2018-05-24 US disclosed
EP-3323872-A1 COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA Merck Patent GmbH (DE) 2018-05-23 EP disclosed