SCHEMBL3815374

SCHEMBL3815374

CC(C)CC(=O)N(Cc1ccccc1)c1cc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.43
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B2 P37059 3/20 0.38
HSD17B1 P14061 1/20 0.38
PTGES O14684 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL3816913 0.93 LTB4R2 (0.42) LTB4R2MAPTNPSR1HPGDALDH1A1
SCHEMBL3807560 0.92 MAPT (0.40) LTB4R2MAPTNPSR1HSD17B2HSD17B1
SCHEMBL3814659 0.91 PTGES (0.46) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL3811293 0.90 LTB4R2 (0.40) LTB4R2MAPTNPSR1MEN1KMT2A
SCHEMBL3815444 0.89 MEN1 (0.40) LTB4R2MAPTALDH1A1RAB9AMEN1
SCHEMBL3812596 0.87 PTGDR2 (0.45) LTB4R2MAPTTRPM8HPGDALDH1A1
SCHEMBL3814627 0.86 MAPT (0.38) LTB4R2MAPTNPSR1HPGDALDH1A1
SCHEMBL3811333 0.85 ALDH1A1 (0.40) MAPTNPSR1TRPM8HPGDALDH1A1
SCHEMBL3807989 0.85 TSPO (0.46) LTB4R2MAPTHPGDALDH1A1RAB9A
SCHEMBL3815372 0.84 LTB4R2 (0.47) LTB4R2MAPTNPSR1TRPM8HPGD

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