SCHEMBL11761306

SCHEMBL11761306

CC(=O)C(Br)C(=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
DPP4 P27487 1/20 0.37
MMP8 P22894 1/20 0.37
HPGD P15428 3/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CHKA P35790 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2563905 0.79 SMN1; SMN2 (0.52) ALDH1A1HTTMMP1MMP8MMP3
SCHEMBL11060294 0.77 ALDH1A1 (0.44) ALDH1A1HTTDPP7MMP1MMP2
SCHEMBL9160768 0.77 ALDH1A1 (0.39) ALDH1A1DPP7MMP1MMP2DPP4
SCHEMBL9160777 0.77 ALDH1A1 (0.39) ALDH1A1DPP7MMP1MMP2DPP4
SCHEMBL1077421 0.75 HPGD (0.42) ALDH1A1HTTDPP7MMP1MMP2
SCHEMBL5303512 0.75 ALDH1A1 (0.46) ALDH1A1HTTDPP7MMP1MMP2
SCHEMBL8487517 0.74 ALDH1A1 (0.46) ALDH1A1HTTDPP7MMP1MMP2
SCHEMBL4123469 0.74 ALDH1A1 (0.41) ALDH1A1HTTDPP7MMP1MMP2
SCHEMBL15364713 0.72 L3MBTL1 (0.41) ALDH1A1HTTDPP7MMP1MMP2
SCHEMBL25447805 0.72 ALDH1A1 (0.48) ALDH1A1HTTDPP7MMP1MMP2

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-4046759-A INTERMEDIATES FOR CEPHALOSPORINS ISHIMARU TOSHIYASU 1977-09-06 US disclosed