SCHEMBL18647015

SCHEMBL18647015

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(-c4ccc(CCCCC)cc4)cc3F)cc2CC)ccc1OCCC(CO)(CO)CCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.38
S1PR1 P21453 7/20 0.37
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
PPARD Q03181 3/20 0.35
S1PR3 Q99500 2/20 0.34
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
HTT P42858 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
APAF1 O14727 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL18645621 0.96 RARB (0.38) RARBS1PR1RARARARGPPARD
SCHEMBL17070503 0.96 CNR2 (0.35) RARBS1PR1RARARARGPPARD
SCHEMBL18645805 0.96 CNR2 (0.35) RARBS1PR1RARARARGPPARD
SCHEMBL18647004 0.95 RARB (0.39) RARBS1PR1RARARARGPPARD
SCHEMBL18647010 0.95 RARB (0.39) RARBS1PR1RARARARGPPARD
SCHEMBL18647021 0.95 CNR2 (0.35) RARBS1PR1PPARDCNR2CNR1
SCHEMBL18645619 0.94 S1PR1 (0.40) RARBS1PR1RARARARGPPARD
SCHEMBL18645720 0.93 RARB (0.38) RARBS1PR1RARARARGS1PR3
SCHEMBL18646504 0.92 CNR2 (0.35) RARBS1PR1RARARARGPPARD
SCHEMBL17070515 0.92 CNR2 (0.35) RARBS1PR1RARARARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265344-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2023-08-24 US disclosed
US-20230265344-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2023-08-24 US disclosed
WO-2022003079-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2022-01-06 WO disclosed
US-11214736-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-01-04 US disclosed
US-20180171231-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-21 US disclosed
US-20180171231-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-21 US disclosed
WO-2017041893-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-03-16 WO disclosed