SCHEMBL27601760

SCHEMBL27601760

CCOP(=O)(OCC)OCC(Nc1cccnc1)c1cc(C)c(O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ADAM17 P78536 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.39
NOTUM Q6P988 3/20 0.38
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
ALPL P05186 3/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL27601759 0.88 FDPS (0.43) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL6291102 0.86 FDPS (0.42) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL27584131 0.83 FDPS (0.43) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL27584373 0.82 FDPS (0.41) FDPSALDH1A1MEN1KMT2ATSHR
SCHEMBL27602670 0.81 TSHR (0.38) FDPSALDH1A1TSHRNOTUMALPL
SCHEMBL6291261 0.79 ALPL (0.43) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL6291234 0.79 LMNA (0.39) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL6294290 0.77 FDPS (0.42) FDPSALDH1A1TSHRNOTUMCFTR
SCHEMBL6310141 0.77 ALPL (0.40) FDPSALDH1A1TSHRNOTUMALPL
SCHEMBL7088256 0.76 ALPL (0.44) FDPSALDH1A1MEN1HSP90AA1ADAM17

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
CN-1518553-A Beta-substituted beta-aminoethylphosphonates 艾雷克斯产品公司 2004-08-04 CN claimed
CN-1518553-A Beta-substituted beta-aminoethylphosphonates 艾雷克斯产品公司 2004-08-04 CN disclosed