SCHEMBL7604553

SCHEMBL7604553

O=C(CCC(CO)c1ccccc1)OP(=O)(O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 5/20 0.38
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
HPGD P15428 1/20 0.37
FOLH1 Q04609 1/20 0.37
CYP2D6 P10635 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
CYP1A2 P05177 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL7610423 0.91 ACP3 (0.38) ACP3HPGDFOLH1CYP2D6CYP1A2
SCHEMBL7610582 0.88 GABBR2 (0.43) ACP3FOLH1CYP2D6CYP1A2PKM
SCHEMBL7608351 0.87 ALDH1A1 (0.39) ACP3FOLH1CYP2D6CYP1A2PKM
SCHEMBL7608422 0.84 ACP3 (0.40) ACP3FOLH1CYP2D6SMN1; SMN2
SCHEMBL7606733 0.83 ANPEP (0.40) ACP3FOLH1
SCHEMBL28574296 0.83 ACP3 (0.56) ACP3FOLH1
SCHEMBL3380506 0.77 ANPEP (0.40) FOLH1PKM
SCHEMBL8734087 0.75 HDAC3 (0.47) HPGDFOLH1SMN1; SMN2NPSR1
SCHEMBL8154438 0.72 TSHR (0.49) SMN1; SMN2
SCHEMBL8457131 0.72 TSHR (0.49) SMN1; 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
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