SCHEMBL22054577

SCHEMBL22054577

CCCCCCC(C(=O)NC(c1ccccc1)c1ccccc1)[C@@H](C)CCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MME P08473 2/20 0.47
ALDH1A1 P00352 1/20 0.46
ASAH1 Q13510 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
NAAA Q02083 2/20 0.46
MMP3 P08254 5/20 0.45
MMP2 P08253 6/20 0.44
MMP9 P14780 3/20 0.44
MMP1 P03956 2/20 0.44
MMP14 P50281 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 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
SCHEMBL22054417 1.00 POLB (0.49) POLBNPSR1MMEALDH1A1ASAH1
SCHEMBL23171829 0.83 POLB (0.54) POLBNPSR1MMEALDH1A1ASAH1
SCHEMBL24105903 0.76 POLB (0.57) POLBNPSR1MMEALDH1A1NAAA
SCHEMBL8650962 0.74 MMP2 (0.42) POLBNPSR1MMEASAH1NAAA
SCHEMBL8649894 0.74 MMP2 (0.42) POLBNPSR1MMEASAH1NAAA
SCHEMBL7077499 0.74 MME (0.56) POLBMMEALDH1A1ASAH1ACER2
SCHEMBL7313784 0.73 POLB (0.55) POLBNPSR1MMENAAACNR2
SCHEMBL7313780 0.73 POLB (0.55) POLBNPSR1MMENAAACNR2
SCHEMBL6818316 0.73 POLB (0.45) POLBNPSR1MMEALDH1A1ASAH1
SCHEMBL2698411 0.72 POLB (0.69) POLBALDH1A1ASAH1ACER2NAAA

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-2020107078-A1 DENDRIMER FOR THERAPY AND IMAGING STARPHARMA PTY LTD (AU) 2020-06-04 WO disclosed