SCHEMBL7437136

SCHEMBL7437136

COC(=O)COc1ccc(NCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 2/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.43
SYK P43405 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PTPN7 P35236 1/20 0.41
PTPN12 Q05209 1/20 0.41

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
SCHEMBL9135725 0.85 MAPT (0.53) MEN1KMT2APOLBL3MBTL1MAPT
SCHEMBL1688815 0.84 POLB (0.47) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL11649720 0.82 MEN1 (0.55) MEN1KMT2APOLBL3MBTL1PTGS2
SCHEMBL22568324 0.81 MEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1549431 0.80 HTT (0.47) POLBALDH1A1
SCHEMBL4852883 0.80 APP (0.45) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL4935297 0.80 EPHX2 (0.58) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL4612953 0.79 SMN1; SMN2 (0.51) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL4853455 0.79 MTNR1A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4856533 0.79 ITGB1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed