SCHEMBL46217

SCHEMBL46217

Bc1cc(C)ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)OCC)C2=O)o1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.80
ITGAM P11215 6/20 0.80
SLC1A3 P43003 6/20 0.69
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
POLB P06746 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C19 P33261 1/20 0.61
PPARG P37231 2/20 0.59
BAG3 O95817 1/20 0.53

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
SCHEMBL683059 0.89 ITGB2 (1.00) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL46561 0.84 ITGB2 (1.00) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL46577 0.83 SLC1A3 (0.88) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL5147456 0.83 SLC1A3 (0.88) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL5145237 0.82 SLC1A3 (1.00) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL5145242 0.82 SLC1A3 (1.00) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL21337634 0.81 SLC1A3 (0.82) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL46558 0.81 ITGB2 (1.00) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL5166105 0.81 ITGB2 (0.68) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL5166114 0.81 ITGB2 (0.68) ITGB2ITGAMSLC1A3MEN1KMT2A

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-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 WO disclosed