SCHEMBL3814874

SCHEMBL3814874

O=C(O)Oc1sc(-c2ccccc2)cc1N(Cc1ccccc1)C(=O)CC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.40
ATM Q13315 1/20 0.39
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
HSD17B2 P37059 2/20 0.38
HSD17B1 P14061 1/20 0.38
CPB1 P15086 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1H4 Q96RI1 3/20 0.35
OPRK1 P41145 2/20 0.35

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
SCHEMBL3812570 0.93 LTB4R2 (0.39) LTB4R2SMN1; SMN2RAB9ANPC1NR1H4
SCHEMBL3812096 0.93 NR1H4 (0.43) LTB4R2ATMHSD17B2HSD17B1RAB9A
SCHEMBL3811085 0.92 NR1H4 (0.41) LTB4R2ATMOPRM1OPRD1RAB9A
SCHEMBL3809448 0.91 LTB4R2 (0.38) LTB4R2NR1H4
SCHEMBL3811640 0.90 ALDH1A1 (0.38) LTB4R2SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL3807301 0.87 GSTO1 (0.35) ATMHSD17B2HSD17B1SMN1; SMN2LMNA
SCHEMBL13715858 0.84 KDM4E (0.43) LTB4R2ATMOPRM1OPRD1HSD17B2
SCHEMBL3814871 0.84 LTB4R2 (0.44) LTB4R2ATMOPRM1OPRD1CPB1
SCHEMBL3811147 0.84 CPB1 (0.47) CPB1SMN1; SMN2LMNAMAPTNR1H4
SCHEMBL3811557 0.84 CPB1 (0.49) ATMHSD17B2HSD17B1CPB1SMN1; 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