SCHEMBL7772804

SCHEMBL7772804

Cc1c(CC(=O)O)cc(C(=O)O)cc1C(=O)O.O=C(O)CCC(CCC(=O)O)CCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
TPMT P51580 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
APEX1 P27695 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SRC P12931 1/20 0.32
ALOX15 P16050 2/20 0.31
GPR35 Q9HC97 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
MEP1B Q16820 2/20 0.30
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30

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
SCHEMBL583916 0.89 PTGS1 (0.42) PTGS1TPMTALDH1A1SMN1; SMN2APEX1
SCHEMBL27797720 0.76 TPMT (0.42) TPMTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL1039738 0.76 TPMT (0.45) TPMTALDH1A1KDM4EMEN1KMT2A
SCHEMBL27449011 0.74 TPMT (0.48) TPMTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL12968203 0.73 PDCD1 (0.37) TPMTNPSR1ALDH1A1KDM4EMEN1
SCHEMBL27383638 0.73 KDM4E (0.43) TPMTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL27400020 0.73 TPMT (0.42) TPMTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL27797687 0.73 TPMT (0.42) TPMTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL3097749 0.71 TPMT (0.56) TPMTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL28013312 0.70 TPMT (0.39) TPMTNPSR1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117677-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF Statens Serum Institut (DK) 2001-07-25 EP claimed
WO-2000018791-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF STATENS SERUM INSTITUT (DK) 2000-04-06 WO claimed
EP-1117677-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF Statens Serum Institut (DK) 2001-07-25 EP disclosed
WO-2000018791-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF STATENS SERUM INSTITUT (DK) 2000-04-06 WO disclosed