SCHEMBL4899440

SCHEMBL4899440

CC(S)C(S)CCCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.52
TSHR P16473 5/20 0.50
FFAR4 Q5NUL3 2/20 0.50
FFAR1 O14842 2/20 0.50
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
ALDH1A1 P00352 3/20 0.48
ENPEP Q07075 1/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
GPR84 Q9NQS5 4/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46

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
SCHEMBL14685943 0.83 GSTK1 (0.55) GSTK1TSHRFFAR4FFAR1LMNA
SCHEMBL11254501 0.83 GSTK1 (0.55) GSTK1TSHRFFAR4FFAR1LMNA
SCHEMBL14686086 0.83 GSTK1 (0.55) GSTK1TSHRFFAR4FFAR1LMNA
SCHEMBL8359558 0.83 GSTK1 (0.55) GSTK1TSHRFFAR4FFAR1LMNA
SCHEMBL1198436 0.83 GSTK1 (0.55) GSTK1TSHRFFAR4FFAR1LMNA
SCHEMBL2959092 0.83 GSTK1 (0.55) GSTK1TSHRFFAR4FFAR1LMNA
SCHEMBL5973366 0.83 GSTK1 (0.55) GSTK1TSHRFFAR4FFAR1LMNA
SCHEMBL7621946 0.80 GSTK1 (0.54) GSTK1TSHRFFAR4FFAR1LMNA
SCHEMBL31051586 0.78 ENPEP (0.47) GSTK1TSHRLMNANFKB1PMP22
SCHEMBL9405656 0.78 TSHR (0.60) TSHRFFAR4FFAR1LMNANFKB1

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-9107889-B2 Compositions comprising an NO donor and a dithiolane and their use for improvement of sexual function ENCRYPTA GMBH (DE) 2015-08-18 US disclosed
US-20080161381-A1 Improving nitric oxide (NO) availability; such as arginine and alpha lipoic acid; treats wide range of physical and psychological dysfunctions EXTARMA AG (CH) 2008-07-03 US disclosed
EP-1909782-A2 COMPOSITIONS COMPRISING AN NO DONOR AND A DITHIOLANE AND THEIR USE FOR IMPROVEMENT OF SEXUAL FUNCTION Extarma AG (CH) 2008-04-16 EP disclosed
WO-2007017191-A2 COMPOSITIONS COMPRISING AN NO DONOR AND A DITHIOLANE AND THEIR USE FOR IMPROVEMENT OF SEXUAL FUNCTION EXTARMA AG (CH) 2007-02-15 WO disclosed