SCHEMBL8565012

SCHEMBL8565012

C=C(C)C(=O)OCCNS(=O)(=O)CCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
RELA Q04206 4/20 0.43
THRB P10828 1/20 0.41
CA2 P00918 3/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 2/20 0.35
EPHX1 P07099 1/20 0.35
FAAH O00519 1/20 0.35
ACHE P22303 6/20 0.34

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
SCHEMBL9436877 0.87 TSHR (0.43) TSHRRELATHRBPOLBAPEX1
SCHEMBL3256380 0.83 THRB (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11418593 0.81 THRB (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8560754 0.80 TSHR (0.54) TSHRRELATHRBCA2CA12
SCHEMBL1018256 0.78 TSHR (0.88) TSHRTHRBPOLBAPEX1HTT
Decane SCHEMBL2401068 0.78 TSHR (0.88) TSHRTHRBPOLBAPEX1HTT
Decane SCHEMBL2402324 0.78 TSHR (0.88) TSHRTHRBPOLBAPEX1HTT
Decane SCHEMBL2399919 0.78 TSHR (0.88) TSHRTHRBPOLBAPEX1HTT
Pentadecane SCHEMBL2401072 0.78 TSHR (0.88) TSHRTHRBPOLBAPEX1HTT
Dodecane SCHEMBL2402308 0.78 TSHR (0.88) TSHRTHRBPOLBAPEX1HTT

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 2 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