SCHEMBL5554949

SCHEMBL5554949

CCc1ccc([PH](=O)[O-])cc1.CCc1ccc([PH](=O)[O-])cc1.[Cu+2]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CYP2A6 P11509 1/20 0.37
▸ LPL P06858 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ MGLL Q99685 2/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PLAU P00749 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL2154613 0.78 ALDH1A1 (0.44) CA2ALDH1A1TP53TAAR1CYP2A6
SCHEMBL150727 0.77 ALDH1A1 (0.52) CA2ALDH1A1TP53LPLLIPG
SCHEMBL14246514 0.74 MGLL (0.42) CA2ALDH1A1TP53TAAR1CYP2A6
SCHEMBL5355281 0.74 ALDH1A1 (0.46) CA2ALDH1A1TP53TAAR1CYP2A6
SCHEMBL8676340 0.73 ALDH1A1 (0.40) CA2ALDH1A1TP53TAAR1CYP2A6
SCHEMBL674918 0.72 HTR2A (0.56) CA2ALDH1A1TP53LPLLIPG
SCHEMBL672280 0.72 ALDH1A1 (0.52) CA2ALDH1A1TP53LPLLIPG
SCHEMBL3402079 0.72 SOD1 (0.44) CA2ALDH1A1TP53PLK1SMN1; SMN2
Phosphonic Acid SCHEMBL28061178 0.72 ALDH1A1 (0.54) CA2ALDH1A1TP53TAAR1CYP2A6
SCHEMBL2154168 0.71 TP53 (0.54) CA2ALDH1A1TP53TAAR1CYP2A6

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
EP-1800885-A1 RECORDING MATERIAL AND METHOD OF RECORDING TOYO INK MFG. CO., LTD. (JP) 2007-06-27 — — EP disclosed
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