SCHEMBL3811209

SCHEMBL3811209

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2OC(=O)O)C(C)C)C(C)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
USP30 Q70CQ3 4/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GPR88 Q9GZN0 1/20 0.30
UCHL1 P09936 1/20 0.30

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
SCHEMBL3811154 0.91 TRPV1 (0.37) TRPV1TRPM8KDM4EHTTATM
SCHEMBL3809541 0.91 TRPV1 (0.37) TRPV1TRPM8KDM4EHTTATM
SCHEMBL3811193 0.91 TRPV1 (0.37) TRPV1TRPM8KDM4EHTTATM
SCHEMBL3809145 0.89 TRPV1 (0.38) TRPV1TRPM8KDM4EHTTATM
SCHEMBL3807257 0.88 KDM4E (0.39) TRPV1KDM4EHTTATMUSP30
SCHEMBL2877207 0.87 TRPV1 (0.42) TRPV1TRPM8KDM4EHTTATM
SCHEMBL2158215 0.86 PTPRF (0.36) TRPV1KDM4EHTTATMMAPT
SCHEMBL3814603 0.85 TRPV1 (0.35) TRPV1KDM4EHTTATMUSP30
SCHEMBL2879577 0.84 GPR88 (0.33) TRPV1TRPM8GPR88
SCHEMBL2874197 0.83 IKBKB (0.35) KDM4ERAB9ANPC1MAPTSMN1; 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