SCHEMBL6573110

SCHEMBL6573110

O=C(O)CCC(=O)NC(Cc1ccc(OC(C(=O)O)C(=O)O)cc1)C(=O)NCCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.50
CHRND Q07001 8/20 0.48
CHRNA1 P02708 4/20 0.48
CHRNG P07510 4/20 0.48
CHRNB1 P11230 4/20 0.48
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL6573106 1.00 GRIA1 (0.50) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL6575538 0.88 SRD5A2 (0.45) GRIA1
SCHEMBL6574814 0.88 CA2 (0.47)
SCHEMBL6574820 0.88 CA2 (0.47)
SCHEMBL6572832 0.87 SRC (0.55) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL6572828 0.87 SRC (0.55) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL6573589 0.84 PTPN1 (0.46) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL6573593 0.84 PTPN1 (0.46) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL6571434 0.84 PTPN1 (0.62) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL6572344 0.84 PTPN1 (0.62) GRIA1CHRNDCHRNA1CHRNGCHRNB1

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
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US claimed
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US disclosed