SCHEMBL9858467

SCHEMBL9858467

COc1ccc(OCCCCCC(C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.55
MMP13 P45452 6/20 0.55
ADAM17 P78536 3/20 0.55
MMP1 P03956 3/20 0.55
MMP2 P08253 4/20 0.52
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP3 P08254 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL9614130 0.95 MMP9 (0.48) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL9613916 0.90 MMP9 (0.52) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL10419485 0.89 MMP9 (0.54) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL9614153 0.89 MMP9 (0.46) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL9858481 0.89 MMP2 (0.53) MMP9MMP13MMP2ALDH1A1LMNA
SCHEMBL10419451 0.88 MMP2 (0.55) MMP9MMP13MMP2LMNANPC1
SCHEMBL10420433 0.87 MMP1 (0.54) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL10420220 0.87 MMP1 (0.54) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL9613940 0.86 MMP9 (0.49) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL6928909 0.84 MMP13 (0.75) MMP9MMP13ADAM17MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279162-B1 CARBONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-06-19 EP disclosed