SCHEMBL8611178

SCHEMBL8611178

CCCc1cc(-c2ccc(C)cc2)c(S(C)(=O)=O)cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.47
CYP46A1 Q9Y6A2 1/20 0.40
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 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
SCHEMBL8607613 0.93 SLC9A1 (0.46) SLC9A1CYP46A1LMNAALDH1A1KDM4E
SCHEMBL8610266 0.91 SLC9A1 (0.50) SLC9A1CYP46A1LMNAALDH1A1KDM4E
SCHEMBL8608215 0.89 CA2 (0.43) SLC9A1CYP46A1LMNAALDH1A1KDM4E
SCHEMBL8611709 0.89 PTGS2 (0.44) LMNAALDH1A1KDM4EMAPTPTGS2
SCHEMBL8609093 0.87 SLC9A1 (0.48) SLC9A1CYP46A1LMNAALDH1A1KDM4E
SCHEMBL8608336 0.83 CA2 (0.41) SLC9A1CYP46A1LMNAALDH1A1CNR1
SCHEMBL8608602 0.82 PTGS2 (0.43) KDM4ECNR1CNR2PTGS2
SCHEMBL8610225 0.82 SLC9A1 (0.63) SLC9A1CYP46A1LMNAALDH1A1KDM4E
SCHEMBL8580843 0.81 PPARG (0.39) SLC9A1LMNAALDH1A1KDM4EMAPT
SCHEMBL8578766 0.81 PPARG (0.38) LMNAALDH1A1KDM4EMAPTTSHR

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
US-5807896-A Arylbenzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 1998-09-15 US disclosed