SCHEMBL21115587

SCHEMBL21115587

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2C)ccc1OCCC(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
RARA P10276 3/20 0.32
RARB P10826 3/20 0.32
RARG P13631 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSA P10619 1/20 0.31
SYK P43405 1/20 0.31
SRD5A2 P31213 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL21115777 0.95 L3MBTL1 (0.34) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL19984731 0.93 RARA (0.35) L3MBTL1MAPK1RARARARBRARG
SCHEMBL21115767 0.91 RARA (0.38) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21984722 0.89 RARB (0.41) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21098591 0.88 L3MBTL1 (0.36) L3MBTL1MAPK1RARARARBRARG
SCHEMBL21115786 0.87 PPARD (0.35) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21115595 0.86 L3MBTL1 (0.35) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL19697417 0.85 SLC6A9 (0.37) PPARDRARARARBRARGSRD5A2
SCHEMBL21115426 0.85 PPARD (0.35) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21115423 0.85 PPARD (0.34) PPARDRARARARBRARGCA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3502209-B1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed
EP-3502210-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-09-09 EP disclosed
EP-3502210-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2019-06-26 EP disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed