SCHEMBL21097785

SCHEMBL21097785

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2CC)ccc1OCCC(CO)(CO)CCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
PPARD Q03181 5/20 0.32
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
LTB4R Q15722 3/20 0.31
LTB4R2 Q9NPC1 3/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RAD52 P43351 1/20 0.31
KMT2A Q03164 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
SCHEMBL21097828 0.96 MAPK1 (0.34) MAPK1L3MBTL1RARARARBRARG
SCHEMBL21097825 0.96 MAPK1 (0.34) MAPK1L3MBTL1RARARARBRARG
SCHEMBL21115597 0.95 RARA (0.33) MAPK1L3MBTL1RARARARBRARG
SCHEMBL21115590 0.94 PPARD (0.36) MAPK1L3MBTL1RARARARBRARG
SCHEMBL20288602 0.92 MAPK1 (0.34) MAPK1L3MBTL1RARARARBRARG
SCHEMBL18645809 0.91 CNR2 (0.36) MAPK1L3MBTL1RARARARBRARG
SCHEMBL17070509 0.91 CNR2 (0.36) MAPK1L3MBTL1RARARARBRARG
SCHEMBL21097851 0.91 IDO1 (0.33) TSHRHTTPOLBAPEX1TDP1
SCHEMBL21097803 0.91 IDO1 (0.33) TSHRHTTPOLBAPEX1TDP1
SCHEMBL21098573 0.91 TSHR (0.32) TSHRHTTPOLBAPEX1TDP1

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
US-11072742-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2021-07-27 US disclosed
US-20190185754-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-06-20 US disclosed