SCHEMBL3774107

SCHEMBL3774107

C=CC(=O)OC(CCO)Cc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCD Q05655 1/20 0.34
FOLH1 Q04609 5/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
SLC37A4 O43826 1/20 0.32
ALDH1A1 P00352 2/20 0.31
THRB P10828 2/20 0.31
THRA P10827 1/20 0.31
HMGB1 P09429 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL6567060 0.86 CLCN2 (0.35) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL4663492 0.83 FOLH1 (0.37) FOLH1PPARGPPARAALDH1A1THRB
SCHEMBL1898144 0.82 PPARG (0.36) FOLH1PPARGPPARAALDH1A1THRB
SCHEMBL690261 0.81 PRKCG (0.36) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL9507554 0.78 AKR1C3 (0.36) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL57688 0.76 THRB (0.41) FOLH1ALDH1A1THRBHMGB1TSHR
SCHEMBL9420515 0.75 THRB (0.37) FOLH1PPARGPPARASLC37A4ALDH1A1
SCHEMBL1564579 0.75 HCAR2 (0.38) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL28531604 0.74 THRB (0.43) FOLH1ALDH1A1THRBHMGB1
SCHEMBL8610886 0.74 ALDH1A1 (0.43) ALDH1A1THRBTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100310882-A1 TOPCOAT MIDORI HOKUYO CO., LTD. (JP) 2010-12-09 US disclosed