SCHEMBL20169341

SCHEMBL20169341

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.55
ALKBH1 Q13686 1/20 0.38
GRM5 P41594 1/20 0.36
PTGER4 P35408 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 1/20 0.35
MTOR P42345 1/20 0.35
CSF1R P07333 2/20 0.34
FFAR1 O14842 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
SCHEMBL9936494 0.89 DGAT1 (0.69) DGAT1ALKBH1GRM5PTGER4CASP3
SCHEMBL20169386 0.85 DGAT1 (0.54) DGAT1ALKBH1GRM5PTGER4CASP3
SCHEMBL20169335 0.85 DGAT1 (0.52) DGAT1ALKBH1GRM5PTGER4CASP3
SCHEMBL16787744 0.79 DGAT1 (0.66) DGAT1ALKBH1GRM5PTGER4CASP3
SCHEMBL16787677 0.78 DGAT1 (0.73) DGAT1GRM5PTGER4MEN1KMT2A
SCHEMBL20169329 0.77 DGAT1 (0.55) DGAT1
SCHEMBL20428497 0.76 DGAT1 (0.60) DGAT1
SCHEMBL20169355 0.75 DGAT1 (0.39) DGAT1MTOR
SCHEMBL18541097 0.75 DGAT1 (0.82) DGAT1ALKBH1PTGER4CASP3SENP8
SCHEMBL9935301 0.74 DGAT1 (0.68) DGAT1ALKBH1PTGER4CASP3SENP8

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