SCHEMBL7633989

SCHEMBL7633989

C=CCSCCSCCSCC=C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TRPA1 O75762 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
TERT O14746 1/20 0.32
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
SLC25A21 Q9BQT8 1/20 0.32

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
SCHEMBL10824237 0.96 ALOX5 (0.71) ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4
SCHEMBL3479376 0.83 ALOX5 (0.62) ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4
SCHEMBL19428352 0.82 ALOX5 (0.53) ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4
SCHEMBL4256555 0.82
Diallyl Sulfide SCHEMBL45800 0.81
Diallyl Sulfide SCHEMBL14764035 0.81 ALOX5 (1.00) ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4
Diallyl Sulfide SCHEMBL4346718 0.81
SCHEMBL3479692 0.80 ALOX5 (0.59) ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4
SCHEMBL7056951 0.80
SCHEMBL4157460 0.80 ALOX5 (0.59) ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4

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
US-7307107-B2 Photopolymerizable composition and use thereof MITSUI CHEMICALS, INC. (JP) 2007-12-11 US disclosed
EP-0787791-B1 Functional fluid compositions having improved frictional and anti-oxidation properties LUBRIZOL CORP (US) 2002-12-18 EP disclosed
EP-0787791-A2 Functional fluid compositions having improved frictional and anti-oxidation properties The Lubrizol Corporation (US) 1997-08-06 EP disclosed
US-5561103-A CONTAINING SELF CONDENSATION PRODUCTS OF ALKYLTHIO ALKANOLS AND DISPERSANTS; LUBRICANTS THE LUBRIZOL CORPORATION (US) 1996-10-01 US disclosed