SCHEMBL14907443

SCHEMBL14907443

C=CC(=O)OCCCCCCOc1ccc(-c2ccc(CCC3CCC(CCCCC)CC3)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.46
▸ S1PR3 Q99500 6/20 0.46
▸ RARB P10826 2/20 0.45
▸ PTPN11 Q06124 2/20 0.42
▸ THRB P10828 2/20 0.41
▸ CNR2 P34972 1/20 0.39
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MOGAT2 Q3SYC2 1/20 0.37
▸ S1PR5 Q9H228 4/20 0.36
▸ RARA P10276 1/20 0.36
▸ FFAR1 O14842 1/20 0.36

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
SCHEMBL14907440 0.95 RARB (0.43) S1PR1S1PR3RARBPTPN11THRB
SCHEMBL14088541 0.81 FAAH (0.40) THRBITGB3ITGA2BTSHRCYP2C9
SCHEMBL14907552 0.81 THRB (0.47) S1PR1S1PR3THRBITGB3ITGA2B
SCHEMBL14302565 0.80 THRB (0.46) S1PR1S1PR3THRBCNR2ITGB3
SCHEMBL14907435 0.80 S1PR1 (0.42) S1PR1S1PR3RARBPTPN11THRB
SCHEMBL13220826 0.80 ITGB3 (0.49) THRBITGB3ITGA2BTSHR
SCHEMBL25500990 0.79 THRB (0.50) S1PR1S1PR3THRBHPGDTSHR
SCHEMBL19722588 0.78 S1PR1 (0.42) S1PR1S1PR3RARBPTPN11ITGB3
SCHEMBL14088542 0.78 FAAH (0.41) THRBITGB3ITGA2BHPGDTSHR
SCHEMBL19856065 0.78 RARB (0.41) S1PR1S1PR3RARBTHRBFFAR1

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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