SCHEMBL7929178

SCHEMBL7929178

CC(C(C)(C(=O)O)c1cccc2[nH]ccc12)P(=O)(O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 4/20 0.38
HPGDS O60760 2/20 0.36
MAPK14 Q16539 1/20 0.36
MCL1 Q07820 1/20 0.34
DRD4 P21917 3/20 0.33
DRD3 P35462 3/20 0.33
ADRB3 P13945 3/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
CFTR P13569 1/20 0.32
MMP1 P03956 1/20 0.32
DRD2 P14416 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APAF1 O14727 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32

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
SCHEMBL7606670 0.79 DHPS (0.38) DHPSHPGDSMAPK14DRD4DRD3
SCHEMBL7604593 0.78 DHPS (0.40) DHPSHPGDSMAPK14MCL1DRD4
SCHEMBL7603820 0.77 DHPS (0.37) DHPSHPGDSMAPK14MCL1DRD4
SCHEMBL7926707 0.72 ACP3 (0.41) KDM4E
SCHEMBL5054264 0.72 KDM4E (0.42) HPGDSKDM4EAPAF1POLBMAPT
SCHEMBL7931904 0.71 ALDH1A1 (0.38) MMP1POLBMAPTANPEPERAP2
SCHEMBL7613438 0.69 DHPS (0.45) DHPSHPGDSMAPK14GOT1
SCHEMBL7925798 0.69 KDM4E (0.40) CFTRKDM4EAPAF1POLBMAPT
SCHEMBL7604437 0.68 MEN1 (0.40) HPGDSMAPK14DRD4DRD3MAPT
SCHEMBL5053247 0.67 HPGDS (0.37) DHPSHPGDSMAPK14MCL1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 EP claimed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP claimed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 WO claimed
EP-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 EP disclosed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP disclosed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 WO disclosed