SCHEMBL5164993

SCHEMBL5164993

CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc4[C@H]3OC(=O)NO)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.47
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MMP9 P14780 5/20 0.41
MMP2 P08253 4/20 0.41
MMP7 P09237 4/20 0.41
MMP12 P39900 4/20 0.41
MMP14 P50281 4/20 0.41
MMP15 P51511 4/20 0.41
MMP16 P51512 4/20 0.41
MMP26 Q9NRE1 4/20 0.41
MMP8 P22894 2/20 0.41
MMP3 P08254 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL5165066 1.00 MMP1 (0.47) MMP1MAPTLMNAHDAC1HDAC2
SCHEMBL5162554 0.91 MMP1 (0.45) MMP1MAPTLMNAMMP9MMP2
SCHEMBL5165112 0.91 MMP1 (0.45) MMP1MAPTLMNAMMP9MMP2
SCHEMBL5165124 0.90 MMP1 (0.47) MMP1MAPTLMNAHDAC1HDAC2
SCHEMBL5433930 0.90 LMNA (0.44) MMP1MAPTLMNAHDAC1HDAC2
SCHEMBL5437137 0.90 LMNA (0.44) MMP1MAPTLMNAHDAC1HDAC2
SCHEMBL5163691 0.89 MMP1 (0.55) MMP1MAPTLMNAHDAC1HDAC2
SCHEMBL5164082 0.84 MMP1 (0.48) MMP1MAPTLMNAHDAC1HDAC2
SCHEMBL5162618 0.84 MMP1 (0.48) MMP1MAPTLMNAHDAC1HDAC2
SCHEMBL5443033 0.82 MMP1 (0.41) MMP1MAPTLMNAMMP9MMP2

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-1763516-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 EP disclosed
WO-2006002763-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 WO disclosed