SCHEMBL1955101

SCHEMBL1955101

O=C(CCC(=O)OC[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1)OC[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EEF2K O00418 3/20 0.47
▸ KCNA5 P22460 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ IDH2 P48735 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ REN P00797 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CCR5 P51681 2/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ PREP P48147 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ STS P08842 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR7 P34969 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
SCHEMBL1955107 1.00 EEF2K (0.47) EEF2KKCNA5MAPTIDH2POLB
SCHEMBL12971090 0.97 EEF2K (0.47) EEF2KKCNA5MAPTIDH2POLB
SCHEMBL12971089 0.97 EEF2K (0.47) EEF2KKCNA5MAPTIDH2POLB
SCHEMBL1955103 0.97 EEF2K (0.47) EEF2KKCNA5MAPTIDH2POLB
Potassium Ion SCHEMBL1951374 0.96 EEF2K (0.43) EEF2KKCNA5MAPTIDH2POLB
Potassium Ion SCHEMBL1951375 0.96 EEF2K (0.43) EEF2KKCNA5MAPTIDH2POLB
Potassium Ion SCHEMBL1951377 0.96 EEF2K (0.43) EEF2KKCNA5MAPTIDH2POLB
SCHEMBL12577360 0.95 EEF2K (0.43) EEF2KKCNA5MAPTIDH2POLB
SCHEMBL12577632 0.93 EEF2K (0.43) EEF2KKCNA5MAPTIDH2POLB
SCHEMBL12577634 0.91 EEF2K (0.41) EEF2KKCNA5MAPTIDH2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507210-B1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2015-04-08 — — EP disclosed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 — — US disclosed
EP-2507210-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Novartis AG (CH) 2012-10-10 — — EP disclosed
WO-2011067306-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2011-06-09 — — WO disclosed
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