SCHEMBL14907433

SCHEMBL14907433

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(Cl)cc3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.41
▸ HTT P42858 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ FFAR4 Q5NUL3 5/20 0.37
▸ FFAR1 O14842 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ CYSLTR2 Q9NS75 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35

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
SCHEMBL15834297 0.89 HDAC1 (0.41) HTTMAPTTHRBALDH1A1CYP3A4
SCHEMBL14907422 0.86 HTT (0.43) LSSHTTMAPTTHRBFFAR4
SCHEMBL14907435 0.85 S1PR1 (0.42) LSSTHRBFFAR4FFAR1ALDH1A1
SCHEMBL16885027 0.84 THRB (0.49) HTTMAPTTHRBALDH1A1CYP3A4
SCHEMBL22245637 0.84 THRB (0.49) HTTMAPTTHRBALDH1A1CYP3A4
SCHEMBL12354575 0.84 THRB (0.49) HTTMAPTTHRBALDH1A1CYP3A4
SCHEMBL17250032 0.83 HDAC1 (0.41) HTTMAPTTHRBALDH1A1NFKB1
SCHEMBL14984597 0.83 HTT (0.41) LSSHTTMAPTTHRBALDH1A1
SCHEMBL18328867 0.83 PTPN11 (0.46) HTTMAPTTHRBALDH1A1CYP3A4
SCHEMBL13837960 0.83 HTT (0.44) LSSHTTMAPTTHRBALDH1A1

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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