SCHEMBL21115706

SCHEMBL21115706

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2C)ccc1OCCC(CO)(CO)CCCC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.38
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
RARB P10826 3/20 0.33
RARA P10276 2/20 0.33
RARG P13631 2/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTPN11 Q06124 1/20 0.31
S1PR1 P21453 2/20 0.31

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
SCHEMBL21115599 0.96 PPARD (0.38) PPARDPPARAPPARGMAPK1L3MBTL1
SCHEMBL21115590 0.96 PPARD (0.36) PPARDPPARAPPARGMAPK1L3MBTL1
SCHEMBL21097828 0.94 MAPK1 (0.34) PPARDPPARAPPARGMAPK1L3MBTL1
SCHEMBL21097825 0.94 MAPK1 (0.34) PPARDPPARAPPARGMAPK1L3MBTL1
SCHEMBL21115598 0.91 PPARD (0.36) PPARDPPARAPPARGMAPK1L3MBTL1
SCHEMBL20288602 0.90 MAPK1 (0.34) PPARDPPARAPPARGMAPK1L3MBTL1
SCHEMBL21097785 0.90 MAPK1 (0.34) PPARDMAPK1L3MBTL1CNR2CNR1
SCHEMBL21115786 0.89 PPARD (0.35) PPARDPPARAPPARGMAPK1L3MBTL1
SCHEMBL21115948 0.88 PPARD (0.34) PPARDPPARAPPARGRARBRARA
SCHEMBL21115426 0.88 PPARD (0.35) PPARDPPARAPPARGMAPK1L3MBTL1

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