SCHEMBL11035787

SCHEMBL11035787

C=C(C)C(=O)ONC(Cc1ccc(OOC(=O)C(=C)C)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
LDHA P00338 1/20 0.41
KMT2A Q03164 1/20 0.40
FPR2 P25090 1/20 0.39
PPARG P37231 3/20 0.39
CA2 P00918 1/20 0.38
PTGDR Q13258 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM4A O75164 1/20 0.36

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
SCHEMBL5843022 1.00 ITGB3 (0.43) ITGB3ITGA2BLDHAKMT2AFPR2
SCHEMBL6522472 0.90 SLC7A5 (0.49) ITGB3ITGA2BMMEACECPA1
SCHEMBL1015911 0.85 ITGB3 (0.48) ITGB3ITGA2BKMT2AFPR2PPARG
SCHEMBL33331 0.84 FOLH1 (0.49) KMT2ACA2MMEACECPA1
SCHEMBL33332 0.84 FOLH1 (0.49) KMT2ACA2MMEACECPA1
SCHEMBL33445 0.84 FPR2 (0.47) KMT2AFPR2PPARGMMEACE
SCHEMBL33446 0.84 FPR2 (0.47) KMT2AFPR2PPARGMMEACE
SCHEMBL1426484 0.80 ITGB3 (0.53) ITGB3ITGA2BLDHAKMT2APPARG
SCHEMBL5841274 0.80 ITGB3 (0.53) ITGB3ITGA2BLDHAKMT2APPARG
SCHEMBL1018596 0.77 SLC7A5 (0.49) ITGB3ITGA2BPPARGCA2MME

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
JP-59216808-A None JP disclosed
JP-S59216808-A ADHESIVE COMPOSITION FOR DENTAL USE MIRAI KAGAKU KENKYUSHO:KK 1984-12-06 JP disclosed