SCHEMBL20121856

SCHEMBL20121856

COC(=O)C(C)(C)CC(C)(C)C(=O)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.42
CTH P32929 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DGAT1 O75907 1/20 0.31
RIPK1 Q13546 1/20 0.31
APEX1 P27695 1/20 0.31
TET2 Q6N021 1/20 0.31
PRSS1 P07477 1/20 0.30
TMPRSS15 P98073 1/20 0.30
ECE1 P42892 1/20 0.30
FPR2 P25090 1/20 0.30

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
SCHEMBL17574065 0.79 DGAT1 (0.44) ALDH1A1DGAT1TET2PRSS1
SCHEMBL20813616 0.76 DGAT1 (0.31) DGAT1
SCHEMBL16622294 0.76 MMP8 (0.38) DGAT1
SCHEMBL20696336 0.76 DGAT1 (0.35) DGAT1
SCHEMBL8209867 0.76 DGAT1 (0.38) ALDH1A1DGAT1PRSS1
SCHEMBL11940947 0.74 RIPK1 (0.52) EGLN1CTHALDH1A1LMNAMAPT
SCHEMBL19964570 0.73 EGLN1 (0.38) EGLN1CTHALDH1A1LMNAMAPT
SCHEMBL22652306 0.72 CTH (0.40) EGLN1CTHALDH1A1LMNAMAPT
SCHEMBL31087129 0.72 ALDH1A1 (0.42) EGLN1CTHALDH1A1LMNAMAPT
SCHEMBL9476287 0.72 CTH (0.40) EGLN1CTHALDH1A1LMNAMAPT

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-9962452-B2 Soluble complexes of drug analogs and albumin ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2018-05-08 US disclosed