SCHEMBL9099567

SCHEMBL9099567

Cc1ccc(S(=O)(=O)O)c(C2CCC(C(C)(C)C)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
ATM Q13315 1/20 0.35
ALPL P05186 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GLA P06280 1/20 0.33
HSD11B1 P28845 2/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
EPHX2 P34913 1/20 0.32
CDC25B P30305 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL9101971 0.91 PTGDR2 (0.39) PTGDR2EPHX2L3MBTL1MAPTKDM4E
SCHEMBL2217850 0.86 PTGDR2 (0.46) ATMPTGDR2EPHX2MAPTMEN1
SCHEMBL3387056 0.85 PTGDR2 (0.36) PTGDR2KDM2BEPHX2L3MBTL1MAPT
SCHEMBL30764027 0.84 PTGDR2 (0.43) PTGDR2KDM2BEPHX2L3MBTL1CHRNB2
SCHEMBL5278348 0.84 PTGDR2 (0.47) ATMPTGDR2EPHX2MAPTMEN1
SCHEMBL778056 0.84 PTGDR2 (0.35) PTGDR2HSD11B1EPHX2L3MBTL1MAPT
SCHEMBL361128 0.83 PTGDR2 (0.49) ATMPTGDR2CYP3A4EPHX2MAPT
SCHEMBL8788224 0.81 PTGDR2 (0.36) PTGDR2EPHX2L3MBTL1MEN1GAA
SCHEMBL22836089 0.81 ESR1 (0.37) PTGDR2CYP3A4KDM4CEPHX2L3MBTL1
SCHEMBL8788228 0.81 PTGDR2 (0.36) PTGDR2EPHX2L3MBTL1MEN1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489501-A MIXTURES OF TWO COORDINATION COMPOUNDS WHICH REACT TO FORM NEW COORDINATION COMPOUND WHILE CAUSING VISIBLE COLOR CHANGES RICOH COMPANY, LTD. (JP) 1996-02-06 US disclosed
US-5446011-A Imagewise coloring when heating; mixture of n-substituted indole, aromatic polyhydroxy compound, carbonyl compound and an acid RICOH COMPANY, LTD. (JP) 1995-08-29 US disclosed