SCHEMBL17484357

SCHEMBL17484357

C=C(C)C(=O)Oc1ccc(CCc2ccc(CCCO)cc2CC)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.36
CA2 P00918 1/20 0.36
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 1/20 0.35
CYP4A11 Q02928 3/20 0.34
CYP4F2 P78329 2/20 0.34
ELANE P08246 1/20 0.34
MAOB P27338 2/20 0.34
BCHE P06276 1/20 0.34
THRB P10828 1/20 0.33
AKT1 P31749 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
FFAR1 O14842 1/20 0.32
MAOA P21397 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
SCHEMBL17484196 0.93 ELANE (0.36) PPARAS1PR1S1PR3CYP4A11CYP4F2
SCHEMBL17484412 0.88 RARB (0.35) PPARAS1PR1S1PR3CYP4A11CYP4F2
SCHEMBL17484358 0.86 POLB (0.38) PPARACA2S1PR1CYP4A11CYP4F2
SCHEMBL20862847 0.83 ELANE (0.46) ELANEMAOBKMT2AATMFFAR1
SCHEMBL17791331 0.82 ELANE (0.44) ELANETHRBAKT1KMT2AATM
SCHEMBL17477145 0.82 RARB (0.36) PPARAS1PR1CYP4A11CYP4F2ELANE
SCHEMBL17484360 0.81 POLB (0.38) S1PR1CYP4A11CYP4F2MAOBBCHE
SCHEMBL17484463 0.81 ELANE (0.35) PPARACYP4A11CYP4F2ELANEMAOB
SCHEMBL17484398 0.81 RARB (0.46) PPARAS1PR1S1PR3CYP4A11ELANE
SCHEMBL17484402 0.77 RARB (0.33) S1PR1S1PR3ELANETHRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174955-B1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
US-10294426-B2 Liquid crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-05-21 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed