SCHEMBL21115595

SCHEMBL21115595

C=C(CC)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2C)ccc1OCCC(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
PPARD Q03181 5/20 0.34
RARA P10276 3/20 0.34
RARB P10826 3/20 0.34
RARG P13631 3/20 0.34
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
SRD5A2 P31213 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
SCHEMBL21098594 0.94 L3MBTL1 (0.35) L3MBTL1MAPK1RARARARBRARG
SCHEMBL21115777 0.91 L3MBTL1 (0.34) L3MBTL1MAPK1PPARDRARARARB
SCHEMBL21098591 0.86 L3MBTL1 (0.36) L3MBTL1MAPK1RARARARBRARG
SCHEMBL21115587 0.86 PPARD (0.33) L3MBTL1MAPK1PPARDRARARARB
SCHEMBL21115596 0.84 HTT (0.36) L3MBTL1MAPK1RARARARBRARG
SCHEMBL18645799 0.82 POLB (0.32)
SCHEMBL19984731 0.81 RARA (0.35) L3MBTL1MAPK1RARARARBRARG
SCHEMBL21097885 0.80 CNR2 (0.35) L3MBTL1MAPK1RARARARBRARG
SCHEMBL21984722 0.79 RARB (0.41) L3MBTL1MAPK1PPARDRARARARB
SCHEMBL21116077 0.79 IDO1 (0.31)

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