SCHEMBL11124174

SCHEMBL11124174

O=P(O)(NCCO)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ CFTR P13569 1/20 0.47
▸ CA2 P00918 2/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ GGH Q92820 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ S1PR2 O95136 1/20 0.37

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
SCHEMBL4585678 0.82 GAA (0.50) GAACFTRCA2CA4CA5A
SCHEMBL11134932 0.79 TSHR (0.47) CFTRCA2CA4CA5AMEN1
SCHEMBL3068557 0.73 CA2 (0.59) GAACFTRCA2CA4CA5A
SCHEMBL11497558 0.73 GAA (0.46) GAACFTRCA2CA4CA5A
Ethylene Glycol SCHEMBL7690092 0.72 GAA (0.58) GAACFTRCA2CA4CA5A
Phenylphosphonic Acid SCHEMBL27553575 0.72 CA2 (0.80) GAACFTRCA2CA4CA5A
SCHEMBL4836574 0.69 MEN1 (0.61) GAAALDH1A1MEN1KMT2A
SCHEMBL752882 0.68 CFTR (0.78) GAACFTRCA2CA4CA5A
1,3-Propanediol SCHEMBL16047003 0.68 GAA (0.54) GAACFTRCA2CA4CA5A
SCHEMBL5169946 0.68 CA2 (0.52) CFTRCA2CA4CA5AGGH

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-0031054-B1 SOIL DISINFECTANT COMPOSITION, A METHOD FOR PREVENTING AND CONTROLLING DISEASES IN SOIL AND CERTAIN PHENYLPHOSPHINIC ACID SALTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-02-29 — — EP claimed
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