SCHEMBL8065582

SCHEMBL8065582

O=C(O)CC(CC(=O)O)NP(=O)(O)CCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C19 P33261 1/20 0.42
HPGD P15428 3/20 0.40
TAAR1 Q96RJ0 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL5053209 0.86 CYP2C19 (0.44) POLBTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL5053272 0.76 TAAR1 (0.36) TAAR1
SCHEMBL7611344 0.75 MMP12 (0.43) TDP1RAB9ANPC1SMN1; SMN2PKM
SCHEMBL27406652 0.72 TAAR1 (0.50) POLBTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL27840098 0.72 MMP12 (0.51) POLBTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL27820829 0.72 MMP12 (0.51) POLBTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL3861759 0.72 MMP12 (0.51) POLBTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL5051336 0.71 TBXAS1 (0.48) SMN1; SMN2HPGDLMNA
SCHEMBL5058011 0.71 TAAR1 (0.34) POLBTAAR1
SCHEMBL1176719 0.71 CYP2C19 (0.49) POLBTDP1RAB9ANPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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