SCHEMBL7928559

SCHEMBL7928559

CCCCC(C(CC(C)C(=O)O)c1ccccc1)P(=O)(O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CETP P11597 4/20 0.37
CNR2 P34972 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MME P08473 2/20 0.36
PPARA Q07869 1/20 0.36
ECE1 P42892 1/20 0.35
ACP3 P15309 1/20 0.35
REN P00797 1/20 0.35
APAF1 O14727 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5054489 0.85 CETP (0.40) CETPCNR2PPARASMN1; SMN2
SCHEMBL5058042 0.84 APAF1 (0.40) MMEACP3APAF1MEN1ALDH1A1
SCHEMBL5057857 0.83 TBXAS1 (0.43) SMN1; SMN2
SCHEMBL7928562 0.82 CYSLTR2 (0.39) POLBCETPCNR2MAPK1SMN1; SMN2
SCHEMBL7928565 0.81 POLB (0.39) POLBCETPCNR2HSD17B10MME
SCHEMBL5057881 0.81 ACP3 (0.41) CETPCNR2ACP3KMT2A
SCHEMBL7929239 0.78 CETP (0.42) CETPCNR2HSD17B10MMEECE1
SCHEMBL5054324 0.77 ALDH1A1 (0.41) ACP3APAF1ALDH1A1
SCHEMBL5060648 0.76 CETP (0.46) CETPCNR2HSD17B10MEN1KMT2A
SCHEMBL5054814 0.75 CETP (0.38) CETPCNR2MEN1ALDH1A1MAPT

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