SCHEMBL3807301

SCHEMBL3807301

C=CCN(C(=O)CC1CCCC1)c1cc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
ATM Q13315 1/20 0.34
ALOX15 P16050 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3814874 0.87 LTB4R2 (0.40) ATMALOX15HSD17B10ALDH1A1MAPT
SCHEMBL3809645 0.86 HTT (0.38) GSTO1KDM4EHTTATMALOX15
SCHEMBL3807299 0.85 PTPRF (0.36) KDM4EHTTATMALOX15MEN1
SCHEMBL3812096 0.83 NR1H4 (0.43) HTTATMMEN1KMT2AALDH1A1
SCHEMBL3812570 0.83 LTB4R2 (0.39) HTTSMN1; SMN2RAB9ANPC1
SCHEMBL3811546 0.82 LTB4R2 (0.39) GSTO1KDM4EALOX15HSD17B10MEN1
SCHEMBL3811085 0.81 NR1H4 (0.41) ATMMEN1KMT2ARAB9A
SCHEMBL3814610 0.81 ALOX15 (0.38) GSTO1KDM4EALOX15HSD17B10MEN1
SCHEMBL3814789 0.81 MAPT (0.38) GSTO1KDM4EHTTALOX15HSD17B10
SCHEMBL3809448 0.81 LTB4R2 (0.38) MEN1KMT2A

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