SCHEMBL8560751

SCHEMBL8560751

C=CC(=O)OC(C)NS(=O)(=O)CCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
FAAH O00519 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL8565011 0.80 TSHR (0.44) TSHRFAAHLMNACES2
SCHEMBL11104961 0.79 TSHR (0.36) TSHRHPGDZDHHC20ZDHHC2FAAH
Bromide SCHEMBL28815462 0.75 ZDHHC20 (0.47) TSHRHPGDZDHHC20ZDHHC2FAAH
SCHEMBL11314591 0.74 ADH1B (0.44) TSHRHPGDZDHHC20ZDHHC2FAAH
SCHEMBL11304377 0.74 TSHR (0.41) TSHRHPGDZDHHC20ZDHHC2FAAH
SCHEMBL11304441 0.74 TSHR (0.41) TSHRHPGDZDHHC20ZDHHC2FAAH
SCHEMBL11316613 0.74 TSHR (0.41) TSHRHPGDZDHHC20ZDHHC2FAAH
SCHEMBL11307934 0.74 TSHR (0.41) TSHRHPGDZDHHC20ZDHHC2FAAH
SCHEMBL11304792 0.74 ADH1B (0.44) TSHRHPGDZDHHC20ZDHHC2FAAH
SCHEMBL27449564 0.73 TSHR (0.38) TSHR

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-5725789-A FOR FABRICS; POLYALKOXYLATED POLYURETHANE, FLUOROCHEMICAL ACRYLATE POLYMER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-10 US claimed
WO-1996030584-A1 AQUEOUS OIL AND WATER REPELLENT COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-03 WO claimed
US-5725789-A FOR FABRICS; POLYALKOXYLATED POLYURETHANE, FLUOROCHEMICAL ACRYLATE POLYMER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-10 US disclosed
WO-1996030584-A1 AQUEOUS OIL AND WATER REPELLENT COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-03 WO disclosed