SCHEMBL7076370

SCHEMBL7076370

O=C(Cc1ccccc1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.53
MMP13 P45452 5/20 0.53
ACLY P53396 1/20 0.52
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
EPHX2 P34913 6/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2J2 P51589 1/20 0.46
FAAH O00519 1/20 0.46
FPR2 P25090 4/20 0.45
PROKR1 Q8TCW9 4/20 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
SCHEMBL7072306 0.89 ACLY (0.57) MMP2MMP13ACLYEPHX2CYP2C9
SCHEMBL7074343 0.82 MMP2 (0.76) MMP2MMP13ACLYFAAHFPR2
SCHEMBL7076689 0.80 MAPT (0.49) MMP2MMP13HDAC3HDAC4HDAC1
SCHEMBL7076735 0.79 EPHX2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7076740 0.79 EPHX2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7076681 0.78 ACLY (0.60) MMP2MMP13ACLYEPHX2FAAH
SCHEMBL7076424 0.78 MMP2 (0.61) MMP2MMP13ACLYFAAHFPR2
SCHEMBL7077511 0.78 HDAC3 (0.54) MMP2MMP13HDAC3HDAC4HDAC1
SCHEMBL7074348 0.76 MMP13 (0.53) MMP2MMP13ACLYEPHX2CYP2C9
SCHEMBL7074119 0.75 HDAC3 (0.46) MMP2MMP13ACLYHDAC3HDAC4

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 6 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-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 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