SCHEMBL3814858

SCHEMBL3814858

CCCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 8/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BACE1 P56817 1/20 0.36
ALOX5 P09917 1/20 0.36
PSEN1 P49768 1/20 0.36
S1PR1 P21453 1/20 0.36
MDM2 Q00987 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MLYCD O95822 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
SCHEMBL3807191 0.92 PTGDR2 (0.48) LTB4R2PTGDR2MEN1KMT2ABACE1
SCHEMBL3809033 0.91 PTGES (0.41) LTB4R2MEN1KMT2AALOX5ALDH1A1
SCHEMBL3809437 0.88 LTB4R2 (0.42) LTB4R2MEN1KMT2AALDH1A1GAA
SCHEMBL3811519 0.88 BACE1 (0.41) LTB4R2PTGDR2MEN1KMT2ABACE1
SCHEMBL3811293 0.88 LTB4R2 (0.40) LTB4R2PTGDR2MEN1KMT2ABACE1
SCHEMBL3811133 0.87 LTB4R2 (0.43) LTB4R2KMT2AALDH1A1GAAMAPT
SCHEMBL3814853 0.86 LTB4R2 (0.45) LTB4R2PTGDR2
SCHEMBL3807457 0.85 MLYCD (0.42) LTB4R2PTGDR2MEN1KMT2ABACE1
SCHEMBL3815298 0.85 CPB1 (0.41) PTGDR2MEN1KMT2ABACE1
SCHEMBL3809448 0.84 LTB4R2 (0.38) LTB4R2PTGDR2MEN1KMT2ABACE1

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