SCHEMBL7604366

SCHEMBL7604366

CCC(C1CCCO1)P(=O)(O)Nc1ccccc1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A3 Q01959 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
PTGS2 P35354 2/20 0.37
NR1H4 Q96RI1 1/20 0.36
CXCL8 P10145 2/20 0.35

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
SCHEMBL8061269 0.87 HPGD (0.43) HPGDLMNAPOLBSLC6A3KMT2A
SCHEMBL8063636 0.79 HPGD (0.41) HPGDLMNATDP1SLC6A3KMT2A
SCHEMBL7604663 0.77 SMN1; SMN2 (0.45) HPGDPOLBKMT2AMEN1PTGS2
SCHEMBL5051228 0.75 TDP1 (0.46) HPGDLMNATDP1SLC6A3KMT2A
SCHEMBL8063640 0.75 HPGD (0.46) HPGDLMNAPOLBKMT2AMEN1
SCHEMBL5052991 0.72 LMNA (0.39) HPGDLMNAPOLBTDP1SLC6A3
SCHEMBL8057007 0.70 HPGD (0.42) HPGDLMNAPOLBSLC6A3KMT2A
SCHEMBL5054408 0.70 TDP1 (0.46) HPGDLMNATDP1SLC6A3KMT2A
SCHEMBL5052976 0.69 SLC6A3 (0.45) HPGDLMNATDP1SLC6A3KMT2A
SCHEMBL7611757 0.68 GGH (0.47) HPGDLMNAKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
US-6011021-A GLUTAMATE-DERIVED HYDROXYPHOSPHINYL DERIVATIVE. GUILFORD PHARMACEUTICALS INC. (US) 2000-01-04 US disclosed