SCHEMBL21115424

SCHEMBL21115424

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2CC)ccc1OCCC(CC)(CO)CO

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LTB4R Q15722 2/20 0.31
LTB4R2 Q9NPC1 2/20 0.31
PPARD Q03181 3/20 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
SCHEMBL21115597 0.94 RARA (0.33) RARARARBRARGL3MBTL1MAPK1
SCHEMBL21115426 0.94 PPARD (0.35) RARARARBRARGL3MBTL1MAPK1
SCHEMBL21097783 0.93 SLC6A9 (0.36) RARARARBRARGLTB4RLTB4R2
SCHEMBL20288602 0.92 MAPK1 (0.34) RARARARBRARGL3MBTL1MAPK1
SCHEMBL17070407 0.91 S1PR1 (0.34) RARARARBRARGGABRA1GABRB2
SCHEMBL21115421 0.90 RARA (0.34) RARARARBRARGL3MBTL1MAPK1
SCHEMBL18645611 0.90 S1PR1 (0.37) RARARARBRARGPPARDGABRA1
SCHEMBL21115786 0.89 PPARD (0.35) RARARARBRARGL3MBTL1MAPK1
SCHEMBL21097762 0.89 SLC6A9 (0.37) RARARARBRARGLTB4RLTB4R2
SCHEMBL17070362 0.89 S1PR1 (0.37) RARARARBRARGL3MBTL1MAPK1

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