SCHEMBL3812641

SCHEMBL3812641

CCCC(=O)N(Cc1ccccc1Cl)c1cc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
TP53 P04637 4/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 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
SCHEMBL3817127 0.88 MEN1 (0.44) ALDH1A1HSD17B10MAPTHPGDRAB9A
SCHEMBL3814627 0.88 MAPT (0.38) ALDH1A1HSD17B10MAPTHPGDRAB9A
SCHEMBL3811133 0.87 LTB4R2 (0.43) ALDH1A1HSD17B10MAPTHPGDRAB9A
SCHEMBL3812584 0.86 SLC6A2 (0.38) ALDH1A1HSD17B10MAPTHPGDRAB9A
SCHEMBL3807275 0.86 CPB1 (0.40) ALDH1A1HSD17B10MAPTHPGDRAB9A
SCHEMBL3816642 0.86 LTB4R2 (0.41) ALDH1A1HSD17B10MAPTHPGDRAB9A
SCHEMBL3809475 0.86 TP53 (0.43) ALDH1A1HSD17B10MAPTHPGDRAB9A
SCHEMBL3812638 0.85 MEN1 (0.40) ALDH1A1HSD17B10MAPTHPGDRAB9A
SCHEMBL3817094 0.84 CPB1 (0.39) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3809097 0.84 LTB4R2 (0.41) ALDH1A1HSD17B10MAPTHPGDRAB9A

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