SCHEMBL8058574

SCHEMBL8058574

CCCC(c1cccc2ccccc12)P(=O)(O)Nc1ccccc1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ACP3 P15309 5/20 0.44
PTGER4 P35408 1/20 0.40
PTGS2 P35354 2/20 0.40
NR1H4 Q96RI1 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CMA1 P23946 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7612146 0.91 TDP1 (0.47) TDP1ACP3PTGER4PTGS2NR1H4
SCHEMBL8058516 0.84 TDP1 (0.49) TDP1ACP3PTGER4PTGS2NR1H4
SCHEMBL8061543 0.81 MEN1 (0.40) PTGS2NR1H4
SCHEMBL8046809 0.79 TDP1 (0.45) TDP1ACP3KDM4EHPGD
SCHEMBL5053204 0.75 GGH (0.50) ACP3
SCHEMBL5060535 0.75 ACP3 (0.46) ACP3CMA1
SCHEMBL7744435 0.75 MEN1 (0.42) PTGS2NR1H4
SCHEMBL7744718 0.72 TDP1 (0.47) TDP1ACP3KDM4EHPGD
SCHEMBL8057208 0.70 PTGS2 (0.39) PTGS2NR1H4
SCHEMBL5058028 0.70 FOLH1 (0.50) ACP3

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