SCHEMBL7928422

SCHEMBL7928422

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.33
ENPP2 Q13822 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL6037836 0.77 HPGD (0.35) HPGDNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL7610552 0.73 MMP1 (0.36) HPGDSMN1; SMN2TDP1CYP1A2
SCHEMBL7055179 0.72 HPGD (0.36) CETPHPGDSMN1; SMN2CYP1A2
SCHEMBL7605730 0.72 HPGD (0.36) HPGDNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL5052913 0.70 HPGD (0.45) CETPHPGDNPC1TP53RAB9A
SCHEMBL5052910 0.69 HPGD (0.40) CETPHPGDNPC1TP53RAB9A
SCHEMBL7609460 0.69 MMP1 (0.39) HPGDSMN1; SMN2TDP1CYP1A2
SCHEMBL7604763 0.68 HPGD (0.38) HPGDNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL7605314 0.68 MMP1 (0.37) HPGDSMN1; SMN2TDP1CYP1A2
SCHEMBL7925674 0.68 KDM4E (0.38) CETPCNR2

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 7 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
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