SCHEMBL9814952

SCHEMBL9814952

CCc1ccnc(CCCCCCC(C(=O)O)S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
MMP9 P14780 10/20 0.41
MMP2 P08253 7/20 0.41
MMP13 P45452 4/20 0.39
MMP3 P08254 1/20 0.39
ADAM17 P78536 3/20 0.36
MMP1 P03956 1/20 0.36
PHGDH O43175 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TBXAS1 P24557 3/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33

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
SCHEMBL9814920 0.84 MMP2 (0.48) MMP9MMP2MMP13MMP3KDM4E
SCHEMBL9814969 0.82 NPC1 (0.52) MMP9MMP2MMP13MMP3MMP1
SCHEMBL10420790 0.80 MMP2 (0.50) MMP9MMP2MMP13MMP3ADAM17
SCHEMBL10419243 0.80 MMP2 (0.50) MMP9MMP2MMP13MMP3ADAM17
SCHEMBL10419718 0.80 MMP2 (0.50) MMP9MMP2MMP13MMP3ADAM17
SCHEMBL10420376 0.79 MMP2 (0.51) MMP9MMP2MMP13MMP3MMP1
SCHEMBL10420440 0.78 MMP2 (0.54) MMP9MMP2MMP13MMP3MMP1
SCHEMBL10420884 0.78 MMP2 (0.54) MMP9MMP2MMP13MMP3MMP1
SCHEMBL10419465 0.78 MMP2 (0.54) MMP9MMP2MMP13MMP3MMP1
SCHEMBL7825144 0.78 MMP9 (0.55) MMP9MMP2MMP13MMP3ADAM17

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
EP-0275024-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1991-09-04 EP disclosed
US-4833161-A ANTIDIABETIC AGENTS, ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1989-05-23 US disclosed
EP-0275024-A1 Carboxylic-acid derivatives, processes for their preparation and medicaments containing these compounds Roche Diagnostics GmbH (DE) 1988-07-20 EP disclosed