SCHEMBL7072306

SCHEMBL7072306

O=C(O)Cc1ccccc1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.57
HRH1 P35367 1/20 0.50
CCR3 P51677 1/20 0.50
KCNH2 Q12809 1/20 0.50
MMP13 P45452 4/20 0.48
MMP2 P08253 3/20 0.48
USP5 P45974 1/20 0.48
FPR2 P25090 4/20 0.47
PROKR1 Q8TCW9 4/20 0.47
CNR1 P21554 1/20 0.47
EPHX2 P34913 4/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2J2 P51589 1/20 0.46
FAAH O00519 1/20 0.46
PTGDR Q13258 2/20 0.46
MMP12 P39900 1/20 0.45

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
SCHEMBL7076370 0.89 MMP2 (0.53) ACLYMMP13MMP2USP5FPR2
SCHEMBL7076681 0.83 ACLY (0.60) ACLYHRH1CCR3KCNH2MMP13
SCHEMBL7073733 0.78 MAPT (0.49) PTGDR
SCHEMBL7074343 0.78 MMP2 (0.76) ACLYHRH1CCR3KCNH2MMP13
SCHEMBL7076424 0.78 MMP2 (0.61) ACLYMMP13MMP2FPR2PROKR1
SCHEMBL7076372 0.77 ACLY (0.53) ACLYHRH1CCR3MMP13MMP2
SCHEMBL7072144 0.76 HRH1 (0.49) ACLYHRH1CCR3KCNH2MMP13
SCHEMBL7072432 0.74 CNR1 (0.48) ACLYCNR1PTGDR
SCHEMBL22003915 0.73 ACLY (1.00) ACLYUSP5FPR2PROKR1EPHX2
SCHEMBL4752293 0.73 FPR2 (0.57) ACLYHRH1CCR3MMP13FPR2

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
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US disclosed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US disclosed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP disclosed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO disclosed