SCHEMBL8089606

SCHEMBL8089606

Cc1ccc(S(=O)(=O)O)c(C2CCC(C)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36
KMT2A Q03164 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 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 0.88 PTGDR2 (0.39) KMT2AMCOLN3TSHRMAPK1CHRNB2
SCHEMBL9101617 0.85 CHRNB2 (0.39) MCOLN3TSHRCHRNB2CHRNA4PTGDR2
SCHEMBL16712212 0.84 CHRNB2 (0.43) KMT2AMCOLN3CHRNB2CHRNA4CA1
SCHEMBL16712203 0.84 MCOLN3 (0.35) KMT2AMCOLN3TSHRMAPK1TAS1R3
SCHEMBL2217850 0.83 PTGDR2 (0.46) KMT2ATSHRPTGDR2EPHX2MEN1
SCHEMBL3387056 0.82 PTGDR2 (0.36) KMT2AMCOLN3CHRNB2CHRNA4CA1
SCHEMBL5278348 0.81 PTGDR2 (0.47) KMT2ATSHRPTGDR2EPHX2MEN1
SCHEMBL30764027 0.81 PTGDR2 (0.43) MCOLN3TSHRCHRNB2CHRNA4PTGDR2
SCHEMBL778056 0.81 PTGDR2 (0.35) KMT2AMCOLN3CHRNB2CHRNA4CA1
SCHEMBL8368970 0.80 HSD11B1 (0.41) SCN9ASCN5AKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493606-B1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2000-10-18 EP disclosed
EP-1006105-A1 Benzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 2000-06-07 EP disclosed
US-5464811-A Benzene derivatives substituted with heterocyclic ring and herbicides containing same as active ingredients SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-11-07 US disclosed
US-5424277-A An N-substituted-3,4,5,6-tetrahydrophthalimide derivative characterized by having a cycloalkoxy group at the 5-position of the phenyl ring on the nitrogen SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-06-13 US disclosed
EP-0493606-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-08 EP disclosed