SCHEMBL9623261

SCHEMBL9623261

CCCCCC(OC(C)=O)C(C)S

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
FAAH O00519 5/20 0.42
CA1 P00915 2/20 0.41
LMNA P02545 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
GLS2 Q9UI32 1/20 0.37
PRKCA P17252 2/20 0.37
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37

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
SCHEMBL30870109 0.83 TRPV1 (0.51) TRPV1FAAHCA1LMNACNR1
SCHEMBL9805289 0.83 TRPV1 (0.56) TRPV1FAAHCA1LMNACNR1
SCHEMBL9550648 0.81 TRPV1 (0.54) TRPV1FAAHCA1LMNACNR1
SCHEMBL14396088 0.80 TRPV1 (0.53) TRPV1FAAHCA1LMNACNR1
SCHEMBL12611049 0.79 PTPN1 (0.49) TRPV1FAAHLMNAGPR84FFAR1
Hydrochloric Acid SCHEMBL5274948 0.79 TRPV1 (0.51) TRPV1FAAHLMNACNR1CNR2
SCHEMBL8007292 0.79 TRPV1 (0.50) TRPV1FAAHCA1LMNAPRKCA
SCHEMBL2484343 0.79 FAAH (0.42) FAAHCA1GLS2PRKCAGPR84
SCHEMBL9007930 0.78 TRPV1 (0.50) TRPV1FAAHLMNAGLS2PRKCA
SCHEMBL11290778 0.77 PRKCA (0.44) TRPV1FAAHLMNAGLS2PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338788-B1 CATALYST FOR HYDROTREATING HYDROCARBONS SUMITOMO METAL MINING COMPANY LIMITED (JP) 1992-04-22 EP disclosed
US-4997801-A In situ sulfurization SUMITOMO METAL MINING COMPANY LIMITED (JP) 1991-03-05 US disclosed
EP-0338788-A1 Catalyst for hydrotreating hydrocarbons SUMITOMO METAL MINING COMPANY LIMITED (JP) 1989-10-25 EP disclosed