SCHEMBL3811546

SCHEMBL3811546

C=CCN(C(=O)CCCC)c1cc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 7/20 0.39
GSTO1 P78417 1/20 0.38
ALOX15 P16050 8/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
AGTR1 P30556 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
SCHEMBL3814610 0.97 ALOX15 (0.38) LTB4R2GSTO1ALOX15ALDH1A1MAPT
SCHEMBL3814789 0.87 MAPT (0.38) GSTO1ALOX15ALDH1A1MAPTHPGD
SCHEMBL3811544 0.85 LTB4R2 (0.43) LTB4R2ALDH1A1MAPTHPGDRAB9A
SCHEMBL3812671 0.85 ALOX15 (0.41) LTB4R2ALOX15ALDH1A1MAPTHPGD
SCHEMBL3809836 0.82 ALOX15 (0.40) LTB4R2ALOX15ALDH1A1MAPTHPGD
SCHEMBL3814608 0.82 LTB4R2 (0.40) LTB4R2ALOX15ALDH1A1MAPTHPGD
SCHEMBL3807301 0.82 GSTO1 (0.35) GSTO1ALOX15ALDH1A1MAPTHPGD
SCHEMBL3815173 0.82 MAPT (0.36) GSTO1ALOX15ALDH1A1MAPTHPGD
SCHEMBL3809475 0.81 TP53 (0.43) ALOX15ALDH1A1MAPTHPGDRAB9A
SCHEMBL3816570 0.81 TP53 (0.36) GSTO1ALOX15ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed