SCHEMBL2440485

SCHEMBL2440485

CCCCCC(N)c1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
PPARA Q07869 7/20 0.40
ABCB11 O95342 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
HTR2A P28223 2/20 0.40
PMP22 Q01453 2/20 0.40
PPARG P37231 4/20 0.38
LMNA P02545 2/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL3686994 0.88 PPARA (0.56) SLC2A1PPARAABCB11CYP1A2CYP3A4
SCHEMBL14397663 0.76 PPARA (0.41) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14397268 0.76 PPARA (0.41) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2440481 0.75 PPARA (0.44) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL12980551 0.75 SLC2A1 (0.43) SLC2A1CYP1A2CYP3A4TSHRLMNA
SCHEMBL14398600 0.75 PPARA (0.41) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL12426828 0.72 PPARA (0.45) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL27503068 0.72 SLC2A1 (0.69) SLC2A1CYP1A2MMP9MMP13MAPT
SCHEMBL1728974 0.71 SLC2A1 (0.55) SLC2A1TSHRPPARGLMNAMAPT
SCHEMBL1729187 0.71 SLC2A1 (0.55) SLC2A1TSHRPPARGLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1433786-B1 Benzoxazole compound and pharmaceutical composition containing the compound KOWA CO (JP) 2011-09-21 EP disclosed