SCHEMBL7611344

SCHEMBL7611344

O=C(O)CC(CC(=O)O)NP(=O)(O)CCc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
HTT P42858 1/20 0.40
ERAP2 Q6P179 2/20 0.38
ERAP1 Q9NZ08 2/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ANPEP P15144 1/20 0.38
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
NPC1 O15118 1/20 0.37
HIF1A Q16665 2/20 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
SCHEMBL5058020 0.85 MMP13 (0.38) MMP12MMP13RAB9AALDH1A1SMN1; SMN2
SCHEMBL5051336 0.84 TBXAS1 (0.48) SMN1; SMN2HTTERAP2ERAP1ANPEP
SCHEMBL5053272 0.78 TAAR1 (0.36) HDAC2HDAC8HDAC6
SCHEMBL5054779 0.77 TBXAS1 (0.52) ERAP2ERAP1ANPEPFDPS
SCHEMBL8065582 0.75 POLB (0.43) RAB9AALDH1A1PKMSMN1; SMN2NPC1
SCHEMBL5053031 0.72 NAPRT (0.49) PKMSMN1; SMN2HTTFDPSLMNA
SCHEMBL8048480 0.71 HPGD (0.42) MMP12MMP13ALDH1A1HDAC2HDAC8
SCHEMBL11141299 0.70 RAB9A (0.56) RAB9AALDH1A1PKMSMN1; SMN2ALPL
SCHEMBL5058011 0.70 TAAR1 (0.34) HDAC2HDAC8HDAC6
SCHEMBL27493618 0.70 CA2 (0.37) FDPS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP disclosed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed