SCHEMBL8698399

SCHEMBL8698399

Cc1ccc(CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
MAPT P10636 5/20 0.49
ALOX15 P16050 2/20 0.49
HPN P05981 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CA2 P00918 2/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.48
DAO P14920 1/20 0.48
F2R P25116 1/20 0.42
CA1 P00915 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
HSPA5 P11021 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 4/20 0.40

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
SCHEMBL8496233 0.93 MAPT (0.55) MAPTALOX15HPNSIRT5ALDH1A1
SCHEMBL6054593 0.86 PTGS1 (0.50) PTGS1PTGS2MAPTALOX15HPN
SCHEMBL9417705 0.82 ALDH1A1 (0.45) MAPTALOX15HPNSIRT5ALDH1A1
SCHEMBL9417710 0.82 MAOB (0.50) MAPTALOX15HPNSIRT5ALDH1A1
SCHEMBL1275820 0.79 HSPA5 (0.45) PTGS1PTGS2MAPTALOX15HPN
SCHEMBL6054565 0.79 EPHX2 (0.44) PTGS1PTGS2MAPTALOX15HPN
SCHEMBL6054514 0.79 ALDH1A1 (0.41) PTGS1PTGS2MAPTALOX15HPN
SCHEMBL9362051 0.78 LMNA (0.43) PTGS1PTGS2MAPTALOX15HPN
SCHEMBL1274615 0.77 HSPA5 (0.50) MAPTALOX15HPNSIRT5ALDH1A1
SCHEMBL8767800 0.77 PPARA (0.52) MAPTMEN1KMT2ACYP2C19CYP1A2

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-0482071-B1 NEW ANTIVIRAL AGENTS BIODOR US HOLDING CORP (US) 1998-01-07 EP claimed