SCHEMBL18646502

SCHEMBL18646502

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(-c4ccc(CCCCC)cc4)cc3)cc2CC)ccc1OCCC(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
APAF1 O14727 2/20 0.36
THRB P10828 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAD52 P43351 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35
TSHR P16473 2/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
RARB P10826 7/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL17070505 1.00 HTT (0.36) HTTMAPTMAPK1APAF1THRB
SCHEMBL18646513 0.99 HTT (0.37) HTTMAPTMAPK1APAF1THRB
SCHEMBL18645610 0.96 CNR2 (0.36) HTTMAPTMAPK1APAF1THRB
SCHEMBL17063576 0.96 CNR2 (0.36) HTTMAPTMAPK1APAF1THRB
SCHEMBL18645623 0.95 RARB (0.40) HTTMAPTMAPK1APAF1THRB
SCHEMBL21984947 0.95 PTPN11 (0.36) HTTMAPTMAPK1APAF1THRB
SCHEMBL18645804 0.95 CNR2 (0.36) HTTMAPTMAPK1APAF1THRB
SCHEMBL17070413 0.94 RARA (0.34) HTTCNR2CNR1PTPN1PTPN6
SCHEMBL17070370 0.93 CNR2 (0.36) HTTMAPTMAPK1APAF1THRB
SCHEMBL17082421 0.93 CNR2 (0.35) HTTMAPTMAPK1APAF1THRB

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 6 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
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