SCHEMBL9614130

SCHEMBL9614130

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.48
MMP13 P45452 5/20 0.48
MMP2 P08253 4/20 0.48
MMP3 P08254 1/20 0.48
ADAM17 P78536 3/20 0.47
MMP1 P03956 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
RARB P10826 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL9858467 0.95 MMP9 (0.55) MMP9MMP13MMP2MMP3ADAM17
SCHEMBL9613916 0.95 MMP9 (0.52) MMP9MMP13MMP2MMP3ADAM17
SCHEMBL10419485 0.94 MMP9 (0.54) MMP9MMP13MMP2MMP3ADAM17
SCHEMBL9614153 0.94 MMP9 (0.46) MMP9MMP13MMP2MMP3ADAM17
SCHEMBL9858481 0.94 MMP2 (0.53) MMP9MMP13MMP2MMP3MEN1
SCHEMBL10419451 0.93 MMP2 (0.55) MMP9MMP13MMP2MMP3MEN1
SCHEMBL9613940 0.88 MMP9 (0.49) MMP9MMP13MMP2MMP3ADAM17
SCHEMBL9613751 0.86 MMP2 (0.47) MMP9MMP13MMP2MMP3MEN1
SCHEMBL9614240 0.84 MMP2 (0.46) MMP9MMP13MMP2MMP3MEN1
SCHEMBL7825144 0.83 MMP9 (0.55) MMP9MMP13MMP2MMP3ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed
EP-0279162-B1 CARBONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-06-19 EP disclosed
EP-0279162-A1 Carbonic acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-08-24 EP disclosed