SCHEMBL9055604

SCHEMBL9055604

NCCCCC(Br)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
EPOR P19235 2/20 0.46
ALDH1A1 P00352 3/20 0.45
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MMP2 P08253 1/20 0.43
ECE1 P42892 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
TPSAB1 Q15661 2/20 0.42

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
SCHEMBL11021170 0.95 ALDH1A1 (0.46) LTA4HEPORALDH1A1ITGB3ITGA2B
SCHEMBL10825434 0.89 ALDH1A1 (0.49) LTA4HALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL7973064 0.86 TDP1 (0.49) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL8316651 0.85 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL8314105 0.85 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL7973322 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL8589544 0.84 ZDHHC7 (0.55) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL25424750 0.83 LTA4H (0.48) LTA4HEPORALDH1A1ITGB3ITGA2B
SCHEMBL676143 0.83 LTA4H (0.57) LTA4HEPORALDH1A1MAPK1L3MBTL1
SCHEMBL730307 0.83 LTA4H (0.57) LTA4HEPORALDH1A1MAPK1L3MBTL1

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-1996010038-A1 MULTIFUNCTIONAL MOLECULAR COMPLEXES FOR GENE TRANSFER TO CELLS APOLLON, INC. (US) 1996-04-04 WO disclosed