SCHEMBL877144

SCHEMBL877144

COC(CCC(=O)O)(NS(C)(=O)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.38
MMP13 P45452 2/20 0.38
SLC6A2 P23975 1/20 0.38
FFAR1 O14842 2/20 0.38
ADAMTS4 O75173 2/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
MMP1 P03956 1/20 0.37
GAA P10253 1/20 0.37
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP14 P50281 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL2364637 0.72 KCNN4 (0.41) MMP13ADAMTS4ADAMTS5LMNAHIF1A
SCHEMBL878150 0.70 CYP2C19 (0.38) CYP1A2HIF1AALDH1A1ESR1CYP3A4
SCHEMBL877143 0.69 MMP13 (0.40) MMP12MMP13SLC6A2MMP9RAB9A
SCHEMBL877681 0.69 CYP2C19 (0.37) LMNAHIF1AALDH1A1ESR1CYP3A4
SCHEMBL877145 0.68 CYP2C9 (0.40) MMP13ADAMTS4MMP9CYP1A2RAB9A
SCHEMBL11822578 0.67 ALDH1A1 (0.47) FFAR1ADAMTS4ADAMTS5LMNACYP1A2
SCHEMBL13931399 0.65 KCNN4 (0.48) FFAR1LMNASMN1; SMN2HIF1ASLC6A3
SCHEMBL28846036 0.64 KCNN4 (0.52) RAB9ASMN1; SMN2CYP2C9ALDH1A1
SCHEMBL6188679 0.64 CES1 (0.56) SLC6A2LMNARAB9ASMN1; SMN2SLC6A3
SCHEMBL11830596 0.63 ALDH1A1 (0.43) FFAR1ADAMTS4ADAMTS5LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP claimed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed