SCHEMBL9613751

SCHEMBL9613751

Cc1ccc(OCCOCCC(C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.47
MMP9 P14780 5/20 0.47
MMP3 P08254 1/20 0.47
MMP13 P45452 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RARB P10826 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9614020 0.95 MMP2 (0.51) MMP2MMP9MMP3MMP13L3MBTL1
SCHEMBL9614050 0.94 MMP2 (0.53) MMP2MMP9MMP3MMP13L3MBTL1
SCHEMBL9614130 0.86 MMP9 (0.48) MMP2MMP9MMP3MMP13L3MBTL1
SCHEMBL9614240 0.82 MMP2 (0.46) MMP2MMP9MMP3MMP13L3MBTL1
SCHEMBL9858481 0.82 MMP2 (0.53) MMP2MMP9MMP3MMP13L3MBTL1
SCHEMBL9858467 0.81 MMP9 (0.55) MMP2MMP9MMP3MMP13L3MBTL1
SCHEMBL10419451 0.81 MMP2 (0.55) MMP2MMP9MMP3MMP13L3MBTL1
SCHEMBL9613916 0.81 MMP9 (0.52) MMP2MMP9MMP3MMP13MEN1
SCHEMBL9614226 0.81 MMP2 (0.52) MMP2MMP9MMP3MMP13KMT2A
SCHEMBL9614153 0.81 MMP9 (0.46) MMP2MMP9MMP3MMP13L3MBTL1

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
US-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed