SCHEMBL7799512

SCHEMBL7799512

O=C(O)CN(CCN(CC(=O)O)Cc1cccc(C(=O)O)c1)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 15/20 0.62
MEP1A Q16819 3/20 0.62
FOLH1 Q04609 2/20 0.51
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
PTPN1 P18031 1/20 0.47

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
SCHEMBL4405810 0.92 MEP1B (0.72) MEP1BMEP1AFOLH1PTPN1
SCHEMBL7562335 0.83 AKR1B1 (0.46) MEP1BMEP1A
SCHEMBL11811255 0.82 MEP1B (0.72) MEP1BMEP1AFOLH1PTPN1
SCHEMBL2284795 0.81 TDP1 (0.56) MEP1B
SCHEMBL7759713 0.81 MEP1B (0.51) MEP1BMEP1APTPN1
SCHEMBL5639050 0.81 MEP1B (0.61) MEP1BMEP1AFOLH1PTPN1
SCHEMBL6674551 0.81 OPRK1 (0.55) MEP1BMEP1A
SCHEMBL4407864 0.80 MEP1B (0.65) MEP1BMEP1AFOLH1PTPN1
SCHEMBL7564337 0.80 TDP1 (0.58)
SCHEMBL2799777 0.79 TDP1 (0.52) MEP1B

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-1163247-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056743-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES ANORMED INC. (CA) 2000-09-28 WO disclosed