SCHEMBL7072831

SCHEMBL7072831

COC(=O)c1ccccc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.73
MMP13 P45452 1/20 0.73
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.57
POLB P06746 1/20 0.57
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPK14 Q16539 1/20 0.53
CYP19A1 P11511 1/20 0.52

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
SCHEMBL7072174 0.86 MMP2 (0.77) MMP2MMP13MEN1KMT2ALMNA
SCHEMBL5899024 0.84 MMP2 (1.00) MMP2MMP13MEN1KMT2ALMNA
SCHEMBL8337431 0.81 CA1 (0.58) MEN1KMT2ALMNAPOLBHSD17B10
SCHEMBL31212417 0.80 MEN1 (0.59) MMP2MMP13MEN1KMT2ALMNA
SCHEMBL31212427 0.80 MEN1 (0.59) MMP2MMP13MEN1KMT2ALMNA
SCHEMBL14477864 0.79 POLB (0.53) MMP2MMP13MEN1KMT2ALMNA
SCHEMBL14697013 0.77 HSD17B10 (0.56) LMNAGAAPOLBHSD17B10ALDH1A1
SCHEMBL6586759 0.77 MAPT (0.60) MMP2MMP13MEN1KMT2ALMNA
SCHEMBL20435717 0.76 TP53 (0.52) MMP2MMP13MEN1KMT2ALMNA
SCHEMBL7076424 0.75 MMP2 (0.61) MMP2MMP13LMNAMAPTKDM4E

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 4 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 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