SCHEMBL21097828

SCHEMBL21097828

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PPARD Q03181 6/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
S1PR1 P21453 2/20 0.31
LTB4R Q15722 2/20 0.31
LTB4R2 Q9NPC1 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL21097825 1.00 MAPK1 (0.34) MAPK1L3MBTL1PPARDCNR2CNR1
SCHEMBL20288602 0.96 MAPK1 (0.34) MAPK1L3MBTL1PPARDCNR2CNR1
SCHEMBL21097785 0.96 MAPK1 (0.34) MAPK1L3MBTL1PPARDCNR2CNR1
SCHEMBL21115706 0.94 PPARD (0.38) MAPK1L3MBTL1PPARDCNR2CNR1
SCHEMBL17070500 0.92 CNR2 (0.36) MAPK1L3MBTL1PPARDCNR2CNR1
SCHEMBL18645803 0.92 CNR2 (0.36) MAPK1L3MBTL1PPARDCNR2CNR1
SCHEMBL18646515 0.91 CNR2 (0.36) MAPK1L3MBTL1PPARDCNR2CNR1
SCHEMBL21098568 0.91 TSHR (0.33) TSHRHTT
SCHEMBL20288237 0.91 TSHR (0.33) TSHRHTT
SCHEMBL21097804 0.91 TSHR (0.33) TSHRHTT

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