SCHEMBL21098591

SCHEMBL21098591

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 2/20 0.36
RARA P10276 3/20 0.35
RARB P10826 3/20 0.35
RARG P13631 3/20 0.35
SRD5A2 P31213 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LTB4R Q15722 5/20 0.32
LTB4R2 Q9NPC1 4/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RAD52 P43351 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
SCHEMBL19984731 0.95 RARA (0.35) L3MBTL1MAPK1RARARARBRARG
SCHEMBL21115777 0.93 L3MBTL1 (0.34) L3MBTL1MAPK1RARARARBRARG
SCHEMBL21098594 0.92 L3MBTL1 (0.35) L3MBTL1MAPK1RARARARBRARG
SCHEMBL17070413 0.90 RARA (0.34) RARARARBRARGSRD5A2HTT
SCHEMBL21097797 0.90 POLB (0.32) HTTPOLBAPEX1TDP1CA1
SCHEMBL18646771 0.90 POLB (0.32) HTTPOLBAPEX1TDP1CA1
SCHEMBL21098017 0.90 POLB (0.32) HTTPOLBAPEX1TDP1CA1
SCHEMBL18646502 0.90 HTT (0.36) L3MBTL1MAPK1RARARARBRARG
SCHEMBL17070505 0.90 HTT (0.36) L3MBTL1MAPK1RARARARBRARG
SCHEMBL18646513 0.89 HTT (0.37) L3MBTL1MAPK1RARBALDH1A1LMNA

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