SCHEMBL21115767

SCHEMBL21115767

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2C)ccc1OCCO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.38
RARB P10826 5/20 0.38
RARG P13631 5/20 0.38
PPARD Q03181 5/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
SYK P43405 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
TLR8 Q9NR97 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL19804141 0.93 CA1 (0.39) RARARARBRARGCA1CA2
SCHEMBL19804487 0.91 SLC6A9 (0.39) RARARARBRARGPPARDPPARG
SCHEMBL21115587 0.91 PPARD (0.33) RARARARBRARGPPARDCA1
SCHEMBL21115786 0.91 PPARD (0.35) RARARARBRARGPPARDCA1
SCHEMBL21115423 0.90 PPARD (0.34) RARARARBRARGPPARDCA1
SCHEMBL19624678 0.89 CA1 (0.36) RARARARBRARGCA1CA2
SCHEMBL21115426 0.88 PPARD (0.35) RARARARBRARGPPARDCA1
SCHEMBL21115598 0.87 PPARD (0.36) RARARARBRARGPPARDCA1
SCHEMBL19804074 0.87 L3MBTL1 (0.39) RARARARBRARGPPARDCA1
SCHEMBL21115599 0.86 PPARD (0.38) RARARARBRARGPPARDPPARG

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-3248060-B1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2020-09-02 EP disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed