SCHEMBL8545920

SCHEMBL8545920

C=CCCCC(C)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.31
MAPT P10636 2/20 0.30
ABCC4 O15439 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL31715459 0.74 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMAPTABCC4
SCHEMBL13142653 0.74 TSHR (0.39) ALDH1A1TSHR
SCHEMBL10400808 0.72
SCHEMBL8909609 0.72
SCHEMBL5637608 0.72 TP53 (0.46) TSHRCA2SMN1; SMN2
SCHEMBL14067036 0.72
SCHEMBL2839545 0.72
SCHEMBL5407912 0.71 TSHR (0.33) ALDH1A1TSHRLMNAMAPTUSP2
SCHEMBL55744 0.71
SCHEMBL5467313 0.70 TP53 (0.34) ALDH1A1LMNA

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-0896518-A2 LOW RESIDUE HAIR CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-02-17 EP claimed
WO-1997034574-A2 LOW RESIDUE HAIR CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO claimed