SCHEMBL8105301

SCHEMBL8105301

NCc1ccccc1/C=C/C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 11/20 0.61
PTGER2 P43116 10/20 0.61
PTGER4 P35408 8/20 0.61
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
NFKB1 P19838 1/20 0.56
CA4 P22748 1/20 0.56
PTGDR Q13258 5/20 0.55
TBXA2R P21731 4/20 0.55
PTGFR P43088 3/20 0.55
PTGER1 P34995 4/20 0.54
PTGIR P43119 2/20 0.54
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TBXAS1 P24557 1/20 0.51
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
HDAC3 O15379 1/20 0.48
TNKS O95271 1/20 0.48
HDAC4 P56524 1/20 0.48

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
SCHEMBL8105303 1.00 PTGER3 (0.61) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL27767297 0.88 PTGER3 (0.49) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL28198833 0.86 PTGER3 (0.51) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL28198834 0.86 PTGER3 (0.51) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL8985158 0.86 PTGER3 (0.62) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL27497043 0.85 PTPN1 (0.46) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL28068734 0.84 MAPT (0.54) NFKB1KDM4ESMN1; SMN2MAPT
SCHEMBL28068832 0.84 MAPT (0.54) NFKB1KDM4ESMN1; SMN2MAPT
SCHEMBL15630767 0.84 LMNA (0.58) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL28085791 0.84 PTGER3 (0.44) PTGER3PTGER2PTGER4CA1CA2

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
EP-0716661-B1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS INC (US) 2000-04-05 EP disclosed
US-5541286-A Bradykinin antagonist pseudopeptide derivatives of olefinic aminoalkanoic acids SCIOS NOVA INC. (US) 1996-07-30 US disclosed
EP-0716661-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1996-06-19 EP disclosed
US-5444048-A Antiinflammatory agents, analgesics SCIOS NOVA, INC. (US) 1995-08-22 US disclosed
WO-1995007294-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1995-03-16 WO disclosed