SCHEMBL4601980

SCHEMBL4601980

CCCCCCSN(C=O)SCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
ADH4 P08319 2/20 0.41
EPHX1 P07099 2/20 0.41
ADH1B P00325 1/20 0.41
ADH7 P40394 1/20 0.41
THRB P10828 2/20 0.40
CES2 O00748 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FAAH O00519 4/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL871631 1.00 TSHR (0.44) TSHRADH1CADH1AADH4EPHX1
SCHEMBL6850245 0.97 TSHR (0.40) TSHRADH1CADH1AADH4EPHX1
SCHEMBL28832704 0.74 TSHR (0.44) TSHRTHRBCES2CTSLCTSB
SCHEMBL27255307 0.74 TSHR (0.44) TSHRTHRBCES2CTSLCTSB
SCHEMBL28407024 0.74 TSHR (0.44) TSHRTHRBCES2CTSLCTSB
Octane SCHEMBL8523622 0.73 TSHR (0.56) TSHRADH1CADH1AADH4EPHX1
Heptane SCHEMBL1975945 0.73 TSHR (0.56) TSHRADH1CADH1AADH4EPHX1
Decane SCHEMBL27095057 0.73 TSHR (0.56) TSHRADH1CADH1AADH4EPHX1
Hexadecane SCHEMBL28158362 0.73 TSHR (0.56) TSHRADH1CADH1AADH4EPHX1
Dodecane SCHEMBL28219621 0.73 TSHR (0.56) TSHRADH1CADH1AADH4EPHX1

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-1694748-B1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M INNOVATIVE PROPERTIES CO (US) 2008-04-23 EP disclosed
US-7273531-B2 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-25 US disclosed
US-20050092429-A1 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY 2005-05-05 US disclosed