SCHEMBL8058437

SCHEMBL8058437

CC(C(=O)O)(c1ccccc1)P(=O)(O)CCCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.49
FDPS P14324 4/20 0.48
PTAFR P25105 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
CHRNA7 P36544 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.43
BTN3A1 O00481 1/20 0.43
PDE3A Q14432 1/20 0.43
GPR132 Q9UNW8 1/20 0.43

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
SCHEMBL8059151 0.77 GRM2 (0.38) FDPS
SCHEMBL8503461 0.76 TBXAS1 (0.59) TBXAS1FDPSCHRNA7TDP1L3MBTL1
SCHEMBL7641415 0.74 TBXAS1 (0.54) TBXAS1FDPSPTAFRCHRNA7EPHX2
SCHEMBL29475143 0.73 LMNA (0.50) FDPSCYP1A2CYP3A4TDP1BTN3A1
SCHEMBL8058433 0.72 FDPS (0.53) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5497372 0.72 KCNA5 (0.48) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8065691 0.72 CHRNA7 (0.53) TBXAS1FDPSPTAFRCHRNA7TDP1
SCHEMBL4213129 0.72 TBXAS1 (0.50) TBXAS1FDPSPTAFRCYP1A2CYP3A4
SCHEMBL8046493 0.72 FDPS (0.55) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8059117 0.71 FDPS (0.58) FDPSCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed