SCHEMBL998588

SCHEMBL998588

O=C(CON(C(=O)C(c1cccc2ccccc12)P(=O)(O)O)c1ccc2ccccc2c1)NCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSG P08311 5/20 0.51
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CMA1 P23946 3/20 0.46
ACP3 P15309 1/20 0.46
EPHX2 P34913 2/20 0.44
MTNR1A P48039 2/20 0.43
SIRT5 Q9NXA8 1/20 0.41
KMT2A Q03164 3/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
FDFT1 P37268 1/20 0.38

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
SCHEMBL4127070 0.75 KDM4E (0.48) CTSGKDM4EMAPTHTTALDH1A1
SCHEMBL999219 0.74 CTSG (0.44) CTSGMAPTHTTALDH1A1CMA1
SCHEMBL1052277 0.66 CMA1 (0.55) CTSGCMA1ACP3EPHX2PTGES
SCHEMBL4734648 0.66 HTT (0.72) KDM4EMAPTHTTALDH1A1KMT2A
SCHEMBL8290968 0.66 CTSG (1.00) CTSGCMA1ACP3
SCHEMBL17117490 0.64 KMT2A (0.67) KDM4EMAPTHTTKMT2AMEN1
SCHEMBL4135674 0.63 CMA1 (1.00) CTSGMAPTCMA1ACP3KMT2A
SCHEMBL4737461 0.62 MEN1 (0.78) KDM4EMAPTHTTALDH1A1KMT2A
SCHEMBL16728220 0.62 L3MBTL1 (0.68) KDM4EMAPTHTTSIRT5
SCHEMBL8938011 0.62 CTSG (0.76) CTSGCMA1ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011500682-A 2011-01-06 JP claimed
EP-2211867-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP claimed
WO-2009051746-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO claimed
EP-2211867-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP disclosed
WO-2009051746-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed