SCHEMBL20288602

SCHEMBL20288602

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2CC)ccc1OCCC(CO)(CO)CCCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
PPARD Q03181 6/20 0.34
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
S1PR1 P21453 2/20 0.31
LTB4R Q15722 2/20 0.31
LTB4R2 Q9NPC1 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 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
SCHEMBL21097825 0.96 MAPK1 (0.34) MAPK1L3MBTL1CNR2CNR1PPARD
SCHEMBL21097828 0.96 MAPK1 (0.34) MAPK1L3MBTL1CNR2CNR1PPARD
SCHEMBL21115597 0.95 RARA (0.33) MAPK1L3MBTL1CNR2CNR1PPARD
SCHEMBL21115599 0.94 PPARD (0.38) MAPK1L3MBTL1CNR2CNR1PPARD
SCHEMBL21097780 0.93 PTPN11 (0.36) CNR2CNR1PPARDRARARARB
SCHEMBL21115424 0.92 RARA (0.34) MAPK1L3MBTL1PPARDRARARARB
SCHEMBL17070540 0.92 CNR2 (0.36) MAPK1L3MBTL1CNR2CNR1PPARD
SCHEMBL18646503 0.92 CNR2 (0.36) MAPK1L3MBTL1CNR2CNR1PPARD
SCHEMBL21097785 0.92 MAPK1 (0.34) MAPK1L3MBTL1CNR2CNR1PPARD
SCHEMBL18646493 0.91 CNR2 (0.37) MAPK1L3MBTL1CNR2CNR1PPARD

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
US-11214736-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-01-04 US disclosed
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
US-20180171231-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-21 US disclosed