SCHEMBL21115426

SCHEMBL21115426

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
RARA P10276 3/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL21115786 0.96 PPARD (0.35) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21115598 0.94 PPARD (0.36) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21115424 0.94 RARA (0.34) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21115599 0.93 PPARD (0.38) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21115423 0.90 PPARD (0.34) PPARDRARARARBRARGSMN1; SMN2
SCHEMBL21115590 0.89 PPARD (0.36) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21115706 0.88 PPARD (0.38) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21115767 0.88 RARA (0.38) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21115597 0.88 RARA (0.33) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21097783 0.87 SLC6A9 (0.36) PPARDRARARARBRARGPPARG

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