SCHEMBL20169345

SCHEMBL20169345

COC(=O)C(C)(C)COc1ccc(-c2cnc(-c3nc(C(F)(F)F)cn3COCCS(C)(C)C)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.53
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL20169336 0.93 DGAT1 (0.63) DGAT1
SCHEMBL20169383 0.92 DGAT1 (0.51) DGAT1
SCHEMBL20169319 0.92 DGAT1 (0.51) DGAT1CYP3A4CYP2C9MAPK1HSD17B10
SCHEMBL20169344 0.90 DGAT1 (0.50) DGAT1CYP3A4CYP2C9MAPK1HSD17B10
SCHEMBL15282810 0.89 DGAT1 (0.67) DGAT1
SCHEMBL20169343 0.84 DGAT1 (0.53) DGAT1
SCHEMBL20169357 0.84 DGAT1 (0.49) DGAT1
SCHEMBL20169376 0.84 DGAT1 (0.51) DGAT1
SCHEMBL20169350 0.84 DGAT1 (0.53) DGAT1
SCHEMBL20169311 0.83 DGAT1 (0.48) DGAT1

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
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed