SCHEMBL3661831

SCHEMBL3661831

CCCCCCCCCCC(N)=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.56
SPHK1 Q9NYA1 1/20 0.56
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FAAH O00519 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SOAT1 P35610 1/20 0.46
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 5/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 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
SCHEMBL11017002 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL7640632 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL6836310 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL3033182 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL7504525 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL2531077 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL992668 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL1312624 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL10704488 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL9629897 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59190960-A None JP disclosed
WO-2017160669-A1 INSULIN-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-09-21 WO disclosed
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP disclosed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO disclosed
JP-S59190960-A 3-ALKYL OR ALKYLENETHIOPROPIONIC ACID AMIDE BASED COMPOUND AND ANTIOXIDANT AND SLIP AGENT FOR ORGANIC BASE MATERIAL CONTAINING THE SAME AS MAIN COMPONENT NIPPON YUNIKAA KK 1984-10-29 JP disclosed