SCHEMBL4651967

SCHEMBL4651967

CCCCCc1ccc(OC(=O)[C@H]2CC[C@H](CCCCC)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
THRB P10828 4/20 0.53
THRA P10827 3/20 0.53
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ELANE P08246 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL4651768 1.00 F2 (0.54) F2THRBTHRAHTTKMT2A
SCHEMBL9398375 1.00 F2 (0.54) F2THRBTHRAHTTKMT2A
SCHEMBL9398371 1.00 F2 (0.54) F2THRBTHRAHTTKMT2A
SCHEMBL9189041 0.99 THRB (0.55) F2THRBTHRAHTTKMT2A
SCHEMBL9435191 0.99 THRB (0.55) F2THRBTHRAHTTKMT2A
SCHEMBL9435186 0.99 THRB (0.55) F2THRBTHRAHTTKMT2A
SCHEMBL11412043 0.96 F2 (0.51) F2THRBTHRAHTTKMT2A
SCHEMBL10786522 0.96 THRB (0.55) F2THRBTHRAHTTKMT2A
SCHEMBL22396364 0.96 THRB (0.55) F2THRBTHRAHTTKMT2A
SCHEMBL11244561 0.96 THRB (0.55) F2THRBTHRAHTTKMT2A

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-1599562-B9 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2008-09-24 EP claimed
EP-1599562-B1 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2007-05-16 EP claimed
US-4818431-A ELECTROOPTICAL DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-04 US disclosed
US-4713197-A Nitrogen-containing heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-12-15 US disclosed
US-4639328-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-01-27 US disclosed