SCHEMBL21115948

SCHEMBL21115948

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.34
RARA P10276 4/20 0.33
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
TTR P02766 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C8 P10632 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
CISD1 Q9NZ45 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL21115423 0.95 PPARD (0.34) PPARDRARARARBRARGPPARG
SCHEMBL21097781 0.93 RARA (0.34) PPARDRARARARBRARGTDP1
SCHEMBL21115590 0.89 PPARD (0.36) PPARDRARARARBRARGPPARG
SCHEMBL21115706 0.88 PPARD (0.38) PPARDRARARARBRARGPPARG
SCHEMBL21115421 0.88 RARA (0.34) PPARDRARARARBRARGCA1
SCHEMBL21115786 0.87 PPARD (0.35) PPARDRARARARBRARGPPARG
SCHEMBL21115777 0.85 L3MBTL1 (0.34) PPARDRARARARBRARGPPARG
SCHEMBL21115426 0.84 PPARD (0.35) PPARDRARARARBRARGPPARG
SCHEMBL21115767 0.84 RARA (0.38) PPARDRARARARBRARGPPARG
SCHEMBL17070405 0.84 RARA (0.34) RARARARBRARGTDP1POLB

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