SCHEMBL3840153

SCHEMBL3840153

Cc1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1CCO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
GLS O94925 2/20 0.41
TRPV3 Q8NET8 2/20 0.41
GPR119 Q8TDV5 6/20 0.41
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGDS O60760 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1118314 0.91 KDM4E (0.44) KDM4EMAPTTHRBGLSTRPV3
SCHEMBL1422597 0.86 GPR119 (0.42) KDM4EMAPTTHRBGLSTRPV3
SCHEMBL28310423 0.84 ALDH1A1 (0.44) KDM4EMAPTTHRBGPR119KMT2A
SCHEMBL19839452 0.80 GPR119 (0.62) GPR119
SCHEMBL7920834 0.79 PPARG (0.49) MAPTGPR119KMT2AALDH1A1TSHR
SCHEMBL1118608 0.79 KDM4E (0.44) KDM4EMAPTTHRBGLSGPR119
SCHEMBL1118433 0.79 KDM4E (0.46) KDM4EMAPTTHRBGLSTRPV3
SCHEMBL1118405 0.78 MAPT (0.43) KDM4EMAPTTHRBTRPV3GPR119
SCHEMBL30926307 0.78 MEN1 (0.38) KDM4EMAPTTHRBTRPV3GPR119
SCHEMBL23204035 0.77 KDM4E (0.42) KDM4EMAPTTHRBGLSGPR119

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-3493807-A1 OXYMETHYLENE ARYL COMPOUNDS FOR TREATING INFLAMMATORY GASTROINTESTINAL DISEASES OR GASTROINTESTINAL CONDITIONS CymaBay Therapeutics, Inc. (US) 2019-06-12 EP disclosed
WO-2018026890-A1 OXYMETHYLENE ARYL COMPOUNDS FOR TREATING INFLAMMATORY GASTROINTESTINAL DISEASES OR GASTROINTESTINAL CONDITIONS CYMABAY THERAPEUTICS (US) 2018-02-08 WO disclosed
EP-2111107-A2 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS Metabolex Inc. (US) 2009-10-28 EP disclosed
WO-2008083238-A2 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. (US) 2008-07-10 WO disclosed