SCHEMBL6037836

SCHEMBL6037836

CCC(C(=O)O)(C1CCCO1)C(C(C)(C)C)P(=O)(O)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
MMP1 P03956 8/20 0.35
MMP13 P45452 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7928422 0.77 CETP (0.33) HPGDTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL7605314 0.76 MMP1 (0.37) HPGDMMP1MMP13TDP1LMNA
SCHEMBL7609460 0.74 MMP1 (0.39) HPGDMMP1MMP13TDP1LMNA
SCHEMBL7604763 0.74 HPGD (0.38) HPGDTDP1LMNAMEN1HTT
SCHEMBL7051418 0.73 HPGD (0.37) HPGDTDP1LMNAALDH1A1SMN1; SMN2
SCHEMBL7647576 0.73 ALDH1A1 (0.36) HPGDMMP1MMP13ALDH1A1SMN1; SMN2
SCHEMBL7647797 0.73 HPGD (0.38) HPGDMMP1MMP13TDP1LMNA
SCHEMBL7610552 0.72 MMP1 (0.36) HPGDMMP1MMP13TDP1LMNA
SCHEMBL7605730 0.69 HPGD (0.36) HPGDTDP1LMNAMEN1HTT
SCHEMBL7055179 0.69 HPGD (0.36) HPGDMMP1MMP13ALDH1A1SMN1; SMN2

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 8 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
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
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
US-6025345-A NOVEL PHOSPHONATE DERIVATIVES, HYDROXYPHOSPHINYL DERIVATIVES, AND PHOSPHORAMIDATE DERIVATIVES THAT INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY, GUILFORD PHARMACEUTICALS INC. (US) 2000-02-15 US disclosed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 WO disclosed