SCHEMBL17484349

SCHEMBL17484349

C=C(C)C(=O)Oc1ccc(CCc2ccc(-c3ccc(CCO)cc3CC)cc2CC)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
ELANE P08246 1/20 0.35
THRB P10828 2/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
FFAR4 Q5NUL3 7/20 0.33
FFAR1 O14842 6/20 0.33
PPARA Q07869 2/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
SRD5A2 P31213 1/20 0.32
ALOX5 P09917 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
AKT1 P31749 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
SCHEMBL17484351 0.89 ELANE (0.41) PTGS2ELANETHRBKMT2AATM
SCHEMBL17791331 0.87 ELANE (0.44) ELANETHRBKMT2AATMAKT1
SCHEMBL22083049 0.84 FFAR4 (0.32) KMT2AFFAR4
SCHEMBL17484350 0.83 PTGS2 (0.37) PTGS2ELANETHRBKMT2AATM
SCHEMBL17484196 0.81 ELANE (0.36) PTGS2ELANEKMT2AATMFFAR1
SCHEMBL18258061 0.81 ELANE (0.46) ELANEKMT2AATMPPARASRD5A2
SCHEMBL14329748 0.80 THRB (0.56) ELANETHRBKMT2AATMAKT1
SCHEMBL17547350 0.79 ELANE (0.47) ELANEKMT2AATMPPARASRD5A2
SCHEMBL17484464 0.79 ELANE (0.49) PTGS2ELANETHRBKMT2AATM
SCHEMBL17484463 0.78 ELANE (0.35) PTGS2ELANEKMT2AATMFFAR4

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