SCHEMBL6269044

SCHEMBL6269044

CCCCCCCCCCCCCCCC(=S)NCC(C)SC(=S)CCCCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FAAH O00519 2/20 0.36
MAPK1 P28482 1/20 0.36
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 7/20 0.34
PPARD Q03181 7/20 0.34
PPARA Q07869 7/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
PTPN1 P18031 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 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
SCHEMBL6263218 0.81 FAAH (0.35) SOAT1MEN1KMT2AFAAHMAPK1
SCHEMBL20883267 0.80 EPHX1 (0.50) SOAT1MEN1KMT2AFAAHMAPK1
SCHEMBL6263286 0.79 SOAT1 (0.44) SOAT1MEN1KMT2AFAAHMAPK1
SCHEMBL5407496 0.77 SOAT1 (0.41) SOAT1MEN1KMT2AFAAHMAPK1
SCHEMBL15392590 0.75 GPR84 (0.48) MEN1KMT2AFAAHMAPK1GPR84
SCHEMBL5403768 0.74 SIRT2 (0.39) SOAT1FAAHFFAR1FFAR4EPHX2
SCHEMBL6266161 0.73 SOAT1 (0.40) SOAT1MEN1KMT2AFAAHMAPK1
SCHEMBL5404438 0.72 MEN1 (0.44) SOAT1MEN1KMT2AFAAHMAPK1
SCHEMBL10502654 0.72 SOAT1 (0.39) SOAT1MEN1KMT2AFAAHMAPK1
SCHEMBL6263699 0.71 GPR84 (0.41) MEN1KMT2AGPR84PPARGPPARD

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
EP-1594486-A2 USES OF ACYLATED AMINOPROPANEDIOLS AND SULPHUR AND NITROGEN ANALOGUES OF SAME Genfit (FR) 2005-11-16 EP claimed
WO-2004073593-A2 USE OF ACYLATED AMINOPROPANEDIOLS AND SULPHUR AND NITROGEN ANALOGUES OF SAME FOR DIFFERENT THERAPEUTIC APPLICATIONS GENFIT (FR) 2004-09-02 WO claimed
EP-1596845-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF Genfit (FR) 2005-11-23 EP disclosed
WO-2004073698-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF GENFIT (FR) 2004-09-02 WO disclosed