SCHEMBL3674032

SCHEMBL3674032

C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=CN1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 2/20 0.38
FAAH O00519 2/20 0.37
MGLL Q99685 2/20 0.37
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL787107 1.00 TSHR (0.48) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL27601371 1.00 TSHR (0.48) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL6229884 1.00 TSHR (0.48) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL786722 1.00 TSHR (0.48) TSHRALDH1A1ALOX5FAAHMGLL
Hexadecane SCHEMBL369966 0.92 ALOX5 (0.42) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL22973525 0.92 ALOX5 (0.42) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL27962943 0.84 ALOX5 (0.37) ALDH1A1ALOX5FAAHMGLL
1-Pentanol SCHEMBL28649677 0.83 SMN1; SMN2 (0.38) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL1569225 0.82 BRD4 (0.39) TSHRALDH1A1
SCHEMBL11109025 0.82 EP300 (0.40)

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-2170247-A2 PERSONAL CARE DISSOLVABLE FILMS Union Carbide Chemicals & Plastics Technology LLC (US) 2010-04-07 EP disclosed
EP-2162111-A1 PERSONAL CARE DISSOLVABLE FILMS Union Carbide Chemicals & Plastics Technology LLC (US) 2010-03-17 EP disclosed
WO-2009006214-A1 PERSONAL CARE DISSOLVABLE FILMS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (US) 2009-01-08 WO disclosed
WO-2009006218-A2 PERSONAL CARE DISSOLVABLE FILMS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (US) 2009-01-08 WO disclosed