SCHEMBL20169386

SCHEMBL20169386

COc1ccc(COc2ccc(-c3ccc(-c4nc(C=O)cn4COCCS(C)(C)C)cn3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.54
PTGER4 P35408 2/20 0.37
ALKBH1 Q13686 1/20 0.37
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.35
CYP11B1 P15538 1/20 0.35
FFAR1 O14842 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM5 P41594 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
SCHEMBL20169335 0.89 DGAT1 (0.52) DGAT1PTGER4ALKBH1CASP3SENP8
SCHEMBL9935301 0.89 DGAT1 (0.68) DGAT1PTGER4ALKBH1CASP3SENP8
SCHEMBL20169341 0.85 DGAT1 (0.55) DGAT1PTGER4ALKBH1CASP3SENP8
SCHEMBL15282957 0.78 DGAT1 (0.65) DGAT1PTGER4ALKBH1CASP3SENP8
SCHEMBL20169329 0.77 DGAT1 (0.55) DGAT1
SCHEMBL18541097 0.74 DGAT1 (0.82) DGAT1PTGER4ALKBH1CASP3SENP8
SCHEMBL9936494 0.74 DGAT1 (0.69) DGAT1PTGER4ALKBH1CASP3SENP8
SCHEMBL16787744 0.73 DGAT1 (0.66) DGAT1PTGER4ALKBH1CASP3SENP8
SCHEMBL16787677 0.72 DGAT1 (0.73) DGAT1PTGER4MEN1KMT2AGRM5
SCHEMBL20428497 0.71 DGAT1 (0.60) 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