SCHEMBL15947342

SCHEMBL15947342

C=C(C)C(=O)NC(Cc1ccc(OCC)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.53
ITGA2B P08514 3/20 0.53
PPARG P37231 3/20 0.51
ACACB O00763 5/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
MME P08473 2/20 0.48
ACE P12821 2/20 0.48
CPA1 P15085 2/20 0.48
ACE2 Q9BYF1 2/20 0.48
TGFBR1 P36897 1/20 0.48
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
KDM4A O75164 1/20 0.47
SUCNR1 Q9BXA5 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
SCHEMBL9418255 0.84 TGFBR1 (0.48) ITGB3ITGA2BPPARGMMEACE
SCHEMBL1015911 0.82 ITGB3 (0.48) ITGB3ITGA2BPPARGMMEACE
SCHEMBL8021425 0.82 FOLH1 (0.59) MMEACECPA1ACE2TGFBR1
SCHEMBL346687 0.82 FOLH1 (0.59) MMEACECPA1ACE2TGFBR1
SCHEMBL346221 0.82 TGFBR1 (0.57) MMEACECPA1ACE2TGFBR1
SCHEMBL2258793 0.82 TGFBR1 (0.57) MMEACECPA1ACE2TGFBR1
SCHEMBL16122883 0.80 GAA (0.53) ITGB3ITGA2BPPARGACACBGAA
SCHEMBL18403602 0.80 GAA (0.53) ITGB3ITGA2BPPARGACACBGAA
SCHEMBL7545399 0.79 ACACB (0.54) ITGB3ITGA2BPPARGACACBGAA
SCHEMBL22604666 0.79 GAA (0.73) ITGB3ITGA2BPPARGACACBGAA

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
US-9188893-B2 Toner for developing electrostatic image Konica Minolta, Inc. (JP) 2015-11-17 US disclosed
US-20140228532-A1 TONER FOR DEVELOPING ELECTROSTATIC IMAGE Konica Minolta, Inc. (JP) 2014-08-14 US disclosed