SCHEMBL11035786

SCHEMBL11035786

C=C(C)CONC(Cc1ccc(OOCC(=C)C)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
LDHA P00338 1/20 0.41
KMT2A Q03164 1/20 0.40
FPR2 P25090 1/20 0.39
PPARG P37231 5/20 0.39
CA2 P00918 1/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL5841271 0.84 FOLH1 (0.49) KMT2ACA2MMEACECPA1
SCHEMBL5842234 0.84 FPR2 (0.47) KMT2AFPR2PPARGMMEACE
SCHEMBL9577258 0.73 ACE (0.43) ACE
SCHEMBL5843022 0.72 ITGB3 (0.43) ITGB3ITGA2BLDHAKMT2AFPR2
SCHEMBL11035787 0.72 ITGB3 (0.43) ITGB3ITGA2BLDHAKMT2AFPR2
SCHEMBL7850258 0.68 GPR174 (0.42) KMT2A
SCHEMBL1015911 0.68 ITGB3 (0.48) ITGB3ITGA2BKMT2AFPR2PPARG
SCHEMBL475961 0.67 FOLH1 (0.54) KMT2ACA2MMEACECPA1
SCHEMBL475962 0.67 FOLH1 (0.54) KMT2ACA2MMEACECPA1
SCHEMBL6438360 0.67 ITGB3 (0.64) ITGB3ITGA2BLDHAKMT2AFPR2

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