SCHEMBL9101617

SCHEMBL9101617

Cc1ccc(S(=O)(=O)O)c(C2CCCC(c3cc(C)ccc3S(=O)(=O)O)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
EPHX2 P34913 7/20 0.36
KDM2B Q8NHM5 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TSHR P16473 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
ACHE P22303 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL30764027 0.94 PTGDR2 (0.43) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL28642529 0.91 CNR2 (0.38) PTGDR2NOS3NOS1NOS2
SCHEMBL5278348 0.90 PTGDR2 (0.47) PTGDR2NOS3NOS1NOS2EPHX2
SCHEMBL16712212 0.90 CHRNB2 (0.43) CHRNB2CHRNA4PTGDR2EPHX2SMN1; SMN2
SCHEMBL778785 0.90 PTGDR2 (0.35) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL2217850 0.89 PTGDR2 (0.46) PTGDR2NOS3NOS1NOS2EPHX2
SCHEMBL361128 0.89 PTGDR2 (0.49) PTGDR2EPHX2SMN1; SMN2TSHRMCOLN3
SCHEMBL23702398 0.88 PTGDR2 (0.36) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL9101971 0.87 PTGDR2 (0.39) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL8089606 0.85 SCN9A (0.36) CHRNB2CHRNA4PTGDR2EPHX2TSHR

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