SCHEMBL30342159

SCHEMBL30342159

CCOC(=O)C(C)(NC(=O)OC(C)(C)C)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.43
PPARA Q07869 2/20 0.43
CYP1A2 P05177 2/20 0.43
ABCB11 O95342 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
S1PR3 Q99500 1/20 0.39
PTPRB P23467 1/20 0.39
HRH4 Q9H3N8 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
SCHEMBL29005139 0.86 ABCB11 (0.45) MAPTALDH1A1GAAPPARACYP1A2
SCHEMBL29005152 0.85 S1PR3 (0.43) MAPTALDH1A1GAAPPARAS1PR3
SCHEMBL30345151 0.79 ABCB11 (0.48) MAPTALDH1A1GAAPPARACYP1A2
SCHEMBL29005173 0.78 ALDH1A1 (0.54) MAPTALDH1A1GAAPPARACYP1A2
SCHEMBL2490507 0.75 ABCB11 (0.49) MAPTALDH1A1GAAPPARACYP1A2
SCHEMBL25227129 0.75 PKM (0.46) MAPTALDH1A1GAACYP1A2TSHR
SCHEMBL25015984 0.72 ALDH1A1 (0.54) MAPTALDH1A1GAAPPARACYP1A2
SCHEMBL25787470 0.71 PKM (0.46) MAPTALDH1A1CYP1A2TSHRKDM4E
SCHEMBL26179175 0.71 PKM (0.42) MAPTALDH1A1GAACYP1A2TSHR
SCHEMBL11569483 0.71 PPARA (0.71) MAPTALDH1A1PPARACYP1A2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116134018-A 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor 默沙东有限责任公司 2023-05-16 CN disclosed
EP-4168393-A1 2-OXOIMIDAZOLIDINE-4-CARBOXAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme LLC (US) 2023-04-26 EP disclosed