SCHEMBL7525050

SCHEMBL7525050

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ CHRM4 P08173 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ LIPE Q05469 1/20 0.38
▸ ELOVL6 Q9H5J4 1/20 0.38

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
SCHEMBL7525054 1.00 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL8094823 1.00 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9062003 0.99 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9062015 0.99 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9061286 0.99 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9062009 0.99 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9061300 0.99 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9061291 0.99 EPHX2 (0.42) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9060794 0.96 EPHX2 (0.43) EPHX2POLBHTTKMT2ASMN1; SMN2
SCHEMBL9060792 0.96 EPHX2 (0.43) EPHX2POLBHTTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844229-B1 Polyhaloalkyl ether derivatives as well as liquid crystal compositions and liquid crystal display elements containing them CHISSO CORP (JP) 2002-02-06 — — EP disclosed
US-6166798-A TN cell having improved display of grey shades MERCK KGAA (DE) 2000-12-26 — — US disclosed
EP-1029842-A2 Polyhaloalkyl ether derivatives as well as liquid crystal compositions and liquid crystal display elements containing them CHISSO CORPORATION (JP) 2000-08-23 — — EP disclosed
US-6007740-A USED PARTICULARLY TO LOWER THRESHOLD VOLTAGE OF LIQUID CRYSTAL COMPOSITIONS, TO ENLARGE A NEMATIC RANGE, SUCH AS INCREASE IN CLEAR POINT OF LIQUID CRYSTAL COMPOSITIONS AND CONTROL REFRACTIVE ANISOTROPIC VALUE CHISSO CORPORATION (JP) 1999-12-28 — — US disclosed
EP-0592635-B1 TN CELL WITH IMPROVED GREY-SHADE REPRESENTATION MERCK PATENT GMBH (DE) 1998-10-14 — — EP disclosed
EP-0844229-A1 Polyhaloalkyl ether derivatives as well as liquid crystal compositions and liquid crystal display elements containing them CHISSO CORPORATION (JP) 1998-05-27 — — EP disclosed
US-5696570-A TN cell having improved display of grey shades MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-09 — — US disclosed
EP-0525144-B1 NEMATIC LIQUID-CRYSTAL COMPOSITION MERCK PATENT GMBH (DE) 1996-12-27 — — EP disclosed
US-5543077-A BASED ON TERMINALLY AND LATERALLY FLUORINATED COMPOUNDS; ACTIVE MATRIX DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-08-06 — — US disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 — — US disclosed
US-5409637-A Mixture of fluorinated compounds for active matrix displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-04-25 — — US disclosed
US-5324449-A Substituted phenyl trifluoromethyl ethers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-28 — — US disclosed
EP-0525144-A1 NEMATIC LIQUID-CRYSTAL COMPOSITION. MERCK PATENT GMBH (DE) 1993-02-03 — — EP disclosed
WO-1992014800-A1 NEMATIC LIQUID-CRYSTAL COMPOSITION MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1992-09-03 — — WO disclosed
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