SCHEMBL7929324

SCHEMBL7929324

O=C(O)CCC(C(=O)O)C(c1ccccc1)P(=O)(O)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GGH Q92820 1/20 0.38
FOLH1 Q04609 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
ACP3 P15309 2/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CPA3 P15088 1/20 0.34

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
SCHEMBL5059951 0.84 GGH (0.39) GGHFOLH1ALDH1A1TDP1ACP3
SCHEMBL8427721 0.84 GGH (0.39) GGHFOLH1ALDH1A1TDP1ACP3
SCHEMBL5054411 0.78 GGH (0.43) GGHFOLH1ALDH1A1CYP1A2
SCHEMBL5053258 0.78 PLA2G2D (0.43) FOLH1
SCHEMBL8457126 0.76 GGH (0.44) GGHFOLH1ALDH1A1NAALAD2CYP1A2
SCHEMBL5051300 0.75 GGH (0.45) GGHFOLH1ALDH1A1TDP1NAALAD2
SCHEMBL5053300 0.74 GGH (0.39) GGHFOLH1ALDH1A1TDP1NAALAD2
SCHEMBL5051319 0.73 FOLH1 (0.51) FOLH1NAALAD2CPA3
SCHEMBL5060196 0.73 CPA3 (0.44) GGHFOLH1ACP3CYP2D6CPA3
SCHEMBL5051035 0.72 GGH (0.65) GGHFOLH1NAALAD2

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
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