SCHEMBL18645804

SCHEMBL18645804

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(-c4ccc(CCCCC)cc4)c(CC)c3)cc2CC)ccc1OCCC(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
THRB P10828 2/20 0.36
APAF1 O14727 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RARB P10826 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAD52 P43351 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
THRA P10827 1/20 0.35
TSHR P16473 2/20 0.34
PTPN11 Q06124 2/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 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
SCHEMBL18645610 0.99 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17063576 0.99 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL21984947 0.98 PTPN11 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17070535 0.97 HTT (0.38) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17070370 0.97 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17082421 0.96 CNR2 (0.35) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18646513 0.96 HTT (0.37) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17070505 0.95 HTT (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18646502 0.95 HTT (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17070442 0.94 HTT (0.39) CNR2CNR1HTTMAPTMAPK1

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