SCHEMBL3664937

SCHEMBL3664937

CCOP(=O)(C=O)OCC.Cc1cc(=O)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.50
▸ ALDH1A1 P00352 12/20 0.48
▸ HPGD P15428 10/20 0.48
▸ KDM4E B2RXH2 9/20 0.48
▸ IGLV6-57 P01721 3/20 0.46
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HSD17B10 Q99714 5/20 0.43
▸ MAOB P27338 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ UGT1A1 P22309 1/20 0.43

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
Propane SCHEMBL27925750 0.80 MAOA (0.68) MAOAALDH1A1HPGDKDM4EIGLV6-57
SCHEMBL29474940 0.78 MAOA (0.74) MAOAALDH1A1HPGDKDM4EIGLV6-57
SCHEMBL66891 0.78 MAOA (0.74) MAOAALDH1A1HPGDKDM4EIGLV6-57
Diethylamine SCHEMBL1306508 0.78 MAOA (0.60) MAOAALDH1A1HPGDKDM4EIGLV6-57
Alcohol SCHEMBL11228664 0.77 MAOA (0.64) MAOAALDH1A1HPGDKDM4EIGLV6-57
Ethylamine SCHEMBL8340171 0.77 MAOA (0.64) MAOAALDH1A1HPGDKDM4EIGLV6-57
Phosphoric Acid SCHEMBL27718718 0.77 MAOA (0.64) MAOAALDH1A1HPGDKDM4ELMNA
SCHEMBL27924128 0.77 MAOA (0.72) MAOAALDH1A1HPGDKDM4EIGLV6-57
Water SCHEMBL28315263 0.77 MAOA (0.72) MAOAALDH1A1HPGDKDM4EIGLV6-57
Hydrochloric Acid SCHEMBL27839067 0.77 MAOA (0.72) MAOAALDH1A1HPGDKDM4EIGLV6-57

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152368-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES Queen Mary and Westfield College (GB) 2010-02-17 — — EP disclosed
WO-2008135743-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-11-13 — — WO disclosed
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