SCHEMBL3811085

SCHEMBL3811085

CC(C)(C)c1ccc(CN(C(=O)CC2CCCC2)c2cc(-c3ccccc3)sc2OC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.41
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ACKR3 P25106 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL3809448 0.92 LTB4R2 (0.38) NR1H4LTB4R2MEN1KMT2A
SCHEMBL3814874 0.92 LTB4R2 (0.40) NR1H4LTB4R2RAB9AOPRM1OPRD1
SCHEMBL3812570 0.89 LTB4R2 (0.39) NR1H4LTB4R2RAB9A
SCHEMBL3816717 0.87 NR1H4 (0.51) NR1H4PTGESALOX5
SCHEMBL2158025 0.87 PTGES (0.42) NR1H4PTGESALOX5LTB4R2RAB9A
SCHEMBL3815608 0.86 NR1H4 (0.48) NR1H4PTGESALOX5
SCHEMBL3811640 0.86 ALDH1A1 (0.38) LTB4R2MEN1RAB9AKMT2A
SCHEMBL3807347 0.86 PTGES (0.43) NR1H4PTGESALOX5LTB4R2MEN1
SCHEMBL3812096 0.85 NR1H4 (0.43) NR1H4LTB4R2MEN1RAB9AKMT2A
SCHEMBL3809033 0.84 PTGES (0.41) NR1H4PTGESALOX5LTB4R2MEN1

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