SCHEMBL7608422

SCHEMBL7608422

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.40
CYP2D6 P10635 1/20 0.39
FOLH1 Q04609 1/20 0.39
BCAT2 O15382 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36

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
SCHEMBL7606733 0.85 ANPEP (0.40) ACP3FOLH1
SCHEMBL28574296 0.85 ACP3 (0.56) ACP3FOLH1
SCHEMBL7604553 0.84 ACP3 (0.38) ACP3CYP2D6FOLH1SMN1; SMN2
SCHEMBL7610582 0.83 GABBR2 (0.43) ACP3CYP2D6FOLH1SMN1; SMN2
SCHEMBL7610423 0.83 ACP3 (0.38) ACP3CYP2D6FOLH1SMN1; SMN2
SCHEMBL7608351 0.82 ALDH1A1 (0.39) ACP3CYP2D6FOLH1SMN1; SMN2
SCHEMBL3380506 0.80 ANPEP (0.40) FOLH1
SCHEMBL8734087 0.77 HDAC3 (0.47) FOLH1SMN1; SMN2
SCHEMBL9773151 0.75 ALDH1A1 (0.54)
SCHEMBL7346034 0.75 ALDH1A1 (0.54)

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