SCHEMBL28804312

SCHEMBL28804312

C=C(NC(=O)Nc1ccccc1C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
ITGB3 P05106 2/20 0.56
ITGAV P06756 2/20 0.56
ITGB1 P05556 1/20 0.55
ITGA5 P08648 1/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
DDX3X O00571 1/20 0.53
KMT2A Q03164 3/20 0.51
EPHX1 P07099 2/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL8432028 0.86 RAB9A (0.62) POLBITGB3ITGAVITGB1ITGA5
SCHEMBL28946859 0.81 NPC1 (0.63) POLBRAB9ANPC1HPGDKMT2A
SCHEMBL5705935 0.80 POLB (0.55) POLBITGB3ITGAVITGB1ITGA5
SCHEMBL1275926 0.80 RAB9A (0.75) POLBITGB3ITGAVITGB1ITGA5
SCHEMBL28804299 0.79 ALDH1A1 (0.50) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL1272314 0.77 POLB (1.00) POLBITGB3ITGAVITGB1ITGA5
SCHEMBL8546341 0.77 ITGB3 (0.74) POLBITGB3ITGAVITGB1ITGA5
SCHEMBL4022483 0.76 RAB9A (0.69) POLBITGB3ITGAVITGB1ITGA5
SCHEMBL665339 0.76 RAB9A (0.75) POLBITGB3ITGAVITGB1ITGA5
SCHEMBL812756 0.75 DDX3X (0.80) POLBITGB3ITGAVITGB1ITGA5

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
CN-109791361-B Positive lithographic printing plate precursor, method for producing same, and method for producing lithographic printing plate 富士胶片株式会社 2022-06-03 CN disclosed