SCHEMBL20158524

SCHEMBL20158524

O=C(CCCCCCC(O)O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
EPHX2 P34913 1/20 0.48
CDC25B P30305 1/20 0.48
LPAR1 Q92633 3/20 0.47
TDP1 Q9NUW8 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LMNA P02545 1/20 0.45
FOLH1 Q04609 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL27453585 0.88 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL10621326 0.88 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL28600680 0.88 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL118235 0.88 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL4941879 0.88 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL10621313 0.88 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL28434793 0.88 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL2926392 0.88 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL20624816 0.88 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL8649907 0.88 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2AMEN1

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
WO-2018090045-A1 ANTIBODY-DRUG CONJUGATES CHO PHARMA INC (TW) 2018-05-17 WO disclosed