SCHEMBL21115598

SCHEMBL21115598

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.36
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 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
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL21115590 0.95 PPARD (0.36) PPARDPPARAPPARGL3MBTL1MAPK1
SCHEMBL21115599 0.95 PPARD (0.38) PPARDPPARAPPARGL3MBTL1MAPK1
SCHEMBL21115786 0.95 PPARD (0.35) PPARDPPARAPPARGL3MBTL1MAPK1
SCHEMBL21115426 0.94 PPARD (0.35) PPARDPPARAPPARGL3MBTL1MAPK1
SCHEMBL21115597 0.94 RARA (0.33) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL21115706 0.91 PPARD (0.38) PPARDPPARAPPARGL3MBTL1MAPK1
SCHEMBL21097785 0.89 MAPK1 (0.34) PPARDL3MBTL1MAPK1RARARARB
SCHEMBL20288602 0.89 MAPK1 (0.34) PPARDPPARAPPARGL3MBTL1MAPK1
SCHEMBL21115423 0.89 PPARD (0.34) PPARDPPARAPPARGRARARARB
SCHEMBL21115424 0.88 RARA (0.34) PPARDL3MBTL1MAPK1RARARARB

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