SCHEMBL5669659

SCHEMBL5669659

C=CCC(C(=O)O)=C(O)CCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 3/20 0.37
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
THRB P10828 1/20 0.34
PGGT1B P53609 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TSHR P16473 3/20 0.32
FAAH O00519 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL27615399 0.80 FFAR3 (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL18579871 0.80 FFAR3 (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL729718 0.80 LMNA (0.32)
SCHEMBL9139008 0.78 FNTA (0.46) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL3903875 0.77 LMNA (0.37) TSHRALDH1A1
SCHEMBL815174 0.77 LMNA (0.37) TSHRALDH1A1
SCHEMBL815175 0.77 LMNA (0.37) TSHRALDH1A1
SCHEMBL9634578 0.76 FNTA (0.53) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL9634593 0.76 FNTA (0.53) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL9860955 0.76 ALDH1A1 (0.39) FFAR3TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7025954-B2 Materials for reshaping of essentially rigid keratinaceous surfaces ESSTECH, INC. (US) 2006-04-11 US disclosed
EP-1148862-A4 MATERIALS AND METHODS FOR RESHAPING OF ESSENTIALLY KERATINACEOUS SURFACES ESSCHEM INC (US) 2006-01-04 EP disclosed
US-20030215635-A1 Materials for reshaping of essentially rigid keratinaceous surfaces ESSTECH, INC. 2003-11-20 US disclosed
EP-1148862-A1 MATERIALS AND METHODS FOR RESHAPING OF ESSENTIALLY KERATINACEOUS SURFACES Esschem, Inc. (US) 2001-10-31 EP disclosed
WO-2000045775-A1 MATERIALS AND METHODS FOR RESHAPING OF ESSENTIALLY KERATINACEOUS SURFACES ESSCHEM, INC. (US) 2000-08-10 WO disclosed
US-6080389-A Materials and methods for reshaping of essentially rigid keratinaceous surfaces ESSCHEM, INC. (US) 2000-06-27 US disclosed