SCHEMBL5706188

SCHEMBL5706188

C=CC(CCC=CCCCC)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNB2 Q08289 1/20 0.37
CACNA1C Q13936 1/20 0.37
PTGS1 P23219 1/20 0.37
PPARG P37231 1/20 0.37
OPRK1 P41145 1/20 0.37
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28053097 0.94 FAAH (0.45) TSHRFAAHTRPV1ABCG2CACNA2D1
Ammonia Solution, Strong SCHEMBL30533991 0.92 FAAH (0.44) TSHRFAAHTRPV1ABCG2CACNA2D1
Ammonia Solution, Strong SCHEMBL30534028 0.92 FAAH (0.44) TSHRFAAHTRPV1ABCG2CACNA2D1
SCHEMBL29374663 0.90 FAAH (0.48) TSHRFAAHTRPV1ABCG2CACNA2D1
SCHEMBL27807843 0.88 FAAH (0.40) TSHRFAAHTRPV1ABCG2CACNA2D1
SCHEMBL9724790 0.85 TSHR (0.42) TSHRALDH1A1SMN1; SMN2
SCHEMBL28894791 0.83 TSHR (0.50) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL31411089 0.83 TSHR (0.38) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL25181774 0.83 TSHR (0.46) TSHRALDH1A1FFAR1SMN1; SMN2
SCHEMBL25181794 0.83 TSHR (0.46) TSHRALDH1A1FFAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115775-B1 HIGH CLARITY POLYETHYLENE COMPOSITIONS EASTMAN CHEM CO (US) 2006-10-25 EP claimed
US-6130293-A High clarity polyethylene compositions EASTMAN CHEMICAL COMPANY (US) 2000-10-10 US claimed
EP-1115775-B1 HIGH CLARITY POLYETHYLENE COMPOSITIONS EASTMAN CHEM CO (US) 2006-10-25 EP disclosed
US-6130293-A High clarity polyethylene compositions EASTMAN CHEMICAL COMPANY (US) 2000-10-10 US disclosed