SCHEMBL7690230

SCHEMBL7690230

C=CCC1(c2ccccc2B(O)O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
SLC6A3 Q01959 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A2 P23975 4/20 0.35
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL17666846 0.81 MEN1 (0.41) MEN1KMT2AALDH1A1POLBSLC6A3
SCHEMBL17666847 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1POLBSLC6A3
SCHEMBL8048831 0.78 SLC6A3 (0.37) SLC6A3SLC6A4SLC6A2SIGMAR1
SCHEMBL27631594 0.76 MEN1 (0.38) MEN1KMT2AALDH1A1POLBSLC6A3
SCHEMBL27760350 0.76 MEN1 (0.38) MEN1KMT2AALDH1A1POLBSLC6A3
SCHEMBL28786043 0.76 SLC6A4 (0.43) MEN1KMT2AALDH1A1POLBSLC6A3
SCHEMBL28428232 0.76 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2SIGMAR1
SCHEMBL14692732 0.75 ALDH1A1 (0.37) MEN1KMT2AALDH1A1POLBSLC6A3
SCHEMBL9797616 0.75 KMT2A (0.46) MEN1KMT2AALDH1A1POLB
SCHEMBL8743740 0.75 LIPG (0.44) SLC6A3SLC6A4SLC6A2SIGMAR1

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-6388146-B1 AROMATIC UNSATURATED NOMONER SHARP KABUSHIKI KAISHA (JP) 2002-05-14 US disclosed