SCHEMBL7931729

SCHEMBL7931729

CCCC(C(CCC)(C(=O)O)c1cccnc1)P(=O)(O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.40
FDPS P14324 3/20 0.40
ANPEP P15144 2/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
GPR132 Q9UNW8 4/20 0.37
LMNA P02545 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRM8 O00222 1/20 0.36
GRM4 Q14833 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL6037773 0.84 FDPS (0.42) KCNA5FDPSANPEPERAP2ERAP1
SCHEMBL7603936 0.74 FDPS (0.43) KCNA5FDPSGPR132LMNACYP1A2
SCHEMBL7925747 0.74 FDPS (0.43) KCNA5FDPSGPR132LMNAKCNH2
SCHEMBL7925771 0.73 FFAR1 (0.39) ANPEPERAP2ERAP1
SCHEMBL7610257 0.73 FDPS (0.42) KCNA5FDPSGPR132LMNACYP1A2
SCHEMBL7606737 0.73 FDPS (0.42) KCNA5FDPSGPR132LMNACYP1A2
SCHEMBL7931915 0.73 CETP (0.41) LMNAKCNH2CYP3A4
SCHEMBL6037800 0.69 FDPS (0.38) KCNA5FDPSGPR132
SCHEMBL7925674 0.69 KDM4E (0.38)
SCHEMBL7612297 0.69 FDPS (0.47) KCNA5FDPSGPR132LMNACYP1A2

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