SCHEMBL14907469

SCHEMBL14907469

C=CC(=O)OCCCCc1ccc(-c2ccc(OC(=O)C=C)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.50
▸ RARB P10826 2/20 0.46
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ S1PR1 P21453 3/20 0.39
▸ S1PR3 Q99500 3/20 0.39
▸ FFAR4 Q5NUL3 4/20 0.38
▸ FFAR1 O14842 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ FAAH O00519 2/20 0.36
▸ PTGS2 P35354 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL803177 0.90 THRB (0.49) THRBRARBTSHRALDH1A1CYP3A4
SCHEMBL14907452 0.87 RARB (0.47) THRBRARBTSHRALDH1A1CYP3A4
SCHEMBL14907523 0.86 THRB (0.44) THRBRARBTSHRALDH1A1CYP3A4
SCHEMBL20194320 0.85 THRB (0.43) THRBRARBS1PR1S1PR3FFAR4
SCHEMBL17750816 0.85 THRB (0.53) THRBRARBTSHRALDH1A1CYP3A4
SCHEMBL21418202 0.84 THRB (0.65) THRBRARBTSHRALDH1A1CYP3A4
SCHEMBL10024014 0.84 THRB (0.43) THRBRARBTSHRALDH1A1CYP3A4
SCHEMBL14907435 0.84 S1PR1 (0.42) THRBRARBTSHRALDH1A1CYP3A4
SCHEMBL18436414 0.84 APP (0.43) THRBRARBTSHRS1PR1S1PR3
SCHEMBL21846528 0.83 THRB (0.42) THRBRARBCYP3A4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 — — EP disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 — — US disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 — — US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 — — US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 — — US disclosed
WO-2013060406-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-05-02 — — WO disclosed
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