SCHEMBL7606733

SCHEMBL7606733

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ERAP2 Q6P179 1/20 0.40
ACP3 P15309 2/20 0.39
LAP3 P28838 5/20 0.39
FOLH1 Q04609 1/20 0.38

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
SCHEMBL7608422 0.85 ACP3 (0.40) ACP3FOLH1
SCHEMBL7610582 0.84 GABBR2 (0.43) ANPEPERAP1ERAP2ACP3LAP3
SCHEMBL3380506 0.84 ANPEP (0.40) ANPEPERAP1ERAP2LAP3FOLH1
SCHEMBL28574296 0.84 ACP3 (0.56) ACP3FOLH1
SCHEMBL7608351 0.83 ALDH1A1 (0.39) ANPEPERAP1ERAP2ACP3FOLH1
SCHEMBL7604553 0.83 ACP3 (0.38) ACP3FOLH1
SCHEMBL7610423 0.82 ACP3 (0.38) ACP3FOLH1
SCHEMBL8734087 0.76 HDAC3 (0.47) FOLH1
SCHEMBL8154438 0.73 TSHR (0.49)
SCHEMBL8457131 0.73 TSHR (0.49)

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