SCHEMBL9101971

SCHEMBL9101971

Cc1ccc(S(=O)(=O)O)c(C2CCC(c3cc(C)ccc3S(=O)(=O)O)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
ELAVL1 Q15717 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 4/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MCOLN3 Q8TDD5 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
SCHEMBL2217850 0.95 PTGDR2 (0.46) PTGDR2KMT2AMEN1ALDH1A1MAPT
SCHEMBL3387056 0.94 PTGDR2 (0.36) PTGDR2CHRNB2CHRNA4L3MBTL1GAA
SCHEMBL30764027 0.93 PTGDR2 (0.43) PTGDR2CHRNB2CHRNA4L3MBTL1EPHX2
SCHEMBL5278348 0.93 PTGDR2 (0.47) PTGDR2KMT2AMEN1ALDH1A1MAPT
SCHEMBL778056 0.92 PTGDR2 (0.35) PTGDR2CHRNB2CHRNA4L3MBTL1GAA
SCHEMBL361128 0.92 PTGDR2 (0.49) PTGDR2GAAKMT2AMEN1ALDH1A1
SCHEMBL9099567 0.91 SCN9A (0.38) PTGDR2CHRNB2CHRNA4L3MBTL1GAA
SCHEMBL8788224 0.89 PTGDR2 (0.36) PTGDR2L3MBTL1GAAKMT2AMEN1
SCHEMBL22836089 0.89 ESR1 (0.37) PTGDR2L3MBTL1GAAKMT2AKDM4E
SCHEMBL8788228 0.89 PTGDR2 (0.36) PTGDR2L3MBTL1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847568-B1 THERMOSETTING RESIN COMPOSITION, THERMOSETTING-RESIN MOLDING MATERIAL, AND CURED OBJECT OBTAINED THEREFROM SUMITOMO BAKELITE CO (JP) 2015-05-20 EP claimed
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