SCHEMBL8514554

SCHEMBL8514554

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
FFAR3 O14843 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
THRB P10828 1/20 0.31
PGGT1B P53609 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK3 Q13003 1/20 0.31
GRIK5 Q16478 1/20 0.31

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
SCHEMBL10901739 0.86 ALDH1A1 (0.33) ALDH1A1GRIK1
SCHEMBL4987258 0.83 ALDH1A1 (0.36) ALDH1A1TSHRFFAR3TDP1FNTA
SCHEMBL9860955 0.82 ALDH1A1 (0.39) ALDH1A1TSHRFFAR3GRIK1GRIA4
SCHEMBL28268445 0.79 GRIK1 (0.40) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL1644504 0.79 ALDH1A1 (0.35) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL815175 0.78 LMNA (0.37) ALDH1A1TSHRTDP1
SCHEMBL3903875 0.78 LMNA (0.37) ALDH1A1TSHRTDP1
SCHEMBL815174 0.78 LMNA (0.37) ALDH1A1TSHRTDP1
SCHEMBL11969997 0.77 FNTA (0.42) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL1135817 0.77 FNTA (0.42) ALDH1A1FNTAFNTBTHRBPGGT1B

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
EP-1448757-B2 PRO-PERFUME COMPOSITIONS USED IN CLEANING OR FABRIC TREATMENT PRODUCTS PROCTER & GAMBLE (US) 2015-04-08 EP claimed
EP-1448757-B1 PRO-PERFUME COMPOSITIONS USED IN CLEANING OR FABRIC TREATMENT PRODUCTS PROCTER & GAMBLE (US) 2012-05-30 EP claimed