SCHEMBL7929239

SCHEMBL7929239

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.42
CNR2 P34972 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MME P08473 1/20 0.38
ECE1 P42892 1/20 0.38
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
PPARG P37231 2/20 0.38
ACE P12821 1/20 0.37

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
SCHEMBL5060648 0.90 CETP (0.46) CETPCNR2MEN1KMT2AHSD17B10
SCHEMBL5057932 0.88 CETP (0.44) CETPCNR2HSD17B10
SCHEMBL5054584 0.86 FOLH1 (0.39) CETPCNR2MEN1KMT2AMAPT
SCHEMBL7928565 0.85 POLB (0.39) CETPCNR2MEN1KMT2AHSD17B10
SCHEMBL5054814 0.83 CETP (0.38) CETPCNR2MEN1KMT2AALDH1A1
SCHEMBL5053178 0.83 FFAR4 (0.43) CETPMEN1KMT2AALDH1A1MAPT
SCHEMBL5052918 0.82 SLC1A3 (0.45) ACE
SCHEMBL5054249 0.81 FOLH1 (0.46) MAPK1SMN1; SMN2
SCHEMBL5054487 0.81 MEN1 (0.42) CETPCNR2MEN1KMT2AALDH1A1
SCHEMBL5058025 0.81 FOLH1 (0.41) CETPMAPTMAPK1SMN1; 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 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