SCHEMBL7650841

SCHEMBL7650841

O=C(O)CCC(C(=O)O)N(c1cc2ccccc2[nH]1)[PH](=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.41
KDM4E B2RXH2 5/20 0.38
DAO P14920 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SRD5A2 P31213 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPOR P19235 1/20 0.36
IDO1 P14902 1/20 0.36
TSHR P16473 2/20 0.36
FLT3 P36888 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DDO Q99489 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3380603 0.76 CPA3 (0.41) KDM4EHPGDHSD17B10EPORTSHR
SCHEMBL7653284 0.75 ADAM17 (0.45) KDM4EMAPTHPGDTSHRMEN1
SCHEMBL7653130 0.71 PARP1 (0.34) EPORMEN1KMT2AALDH1A1
SCHEMBL7644687 0.70 HDAC1 (0.38) KDM4EHPGDHSD17B10EPORTSHR
SCHEMBL7647686 0.70 CCKBR (0.39) CCKBRKDM4EDAOMAPTHPGD
SCHEMBL3103110 0.69 KDM4E (0.43) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL5851328 0.69 ALOX5 (0.51) CCKBRKDM4EDAOMAPTHPGD
SCHEMBL7648560 0.69 POLB (0.38) KDM4EMAPTHPGDHSD17B10EPOR
SCHEMBL7645872 0.68 BCHE (0.36) KDM4EHPGDHSD17B10EPORTSHR
SCHEMBL8661426 0.67 KDM4E (0.46) CCKBRKDM4EDAOMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed