SCHEMBL7070752

SCHEMBL7070752

C=CCCC(C(=O)O)=C(CCC)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 3/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 2/20 0.31
THRB P10828 1/20 0.30
PGGT1B P53609 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
SCHEMBL2784470 0.72 TSHR (0.31) TSHRALDH1A1
SCHEMBL28066862 0.71 FNTA (0.52) TSHRFNTAFNTBALDH1A1THRB
SCHEMBL8925151 0.71 ABCC4 (0.40) ABCC4MAPTALDH1A1
Chloromethane SCHEMBL9081958 0.71 FFAR3 (0.36) TSHRFNTAFNTBFFAR3HDAC3
SCHEMBL8849382 0.68 TSHR (0.39) ABCC4MAPTTSHRFNTAFNTB
SCHEMBL15122053 0.67 FNTA (0.41) TSHRFNTAFNTBFFAR3HDAC3
SCHEMBL1932859 0.67 FNTA (0.41) TSHRFNTAFNTBFFAR3HDAC3
SCHEMBL112390 0.67 FNTA (0.41) TSHRFNTAFNTBFFAR3HDAC3
SCHEMBL622807 0.66
SCHEMBL514867 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194460-A4 CONDITIONING/STYLING TERPOLYMERS ISP INVESTMENTS INC (US) 2003-01-02 EP disclosed
EP-1194460-A1 CONDITIONING/STYLING TERPOLYMERS ISP INVESTMENTS INC. (US) 2002-04-10 EP disclosed
WO-2000068282-A1 CONDITIONING/STYLING TERPOLYMERS ISP INVESTMENTS INC. (US) 2000-11-16 WO disclosed