SCHEMBL9613898

SCHEMBL9613898

COCCCCCCC(C(=O)O)S(=O)(=O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
FAAH O00519 1/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
NPC1 O15118 1/20 0.37
TRPA1 O75762 1/20 0.36

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
SCHEMBL10420392 0.86 TRPA1 (0.48) MAPK1TRPA1
SCHEMBL9613974 0.86 TRPA1 (0.48) MAPK1TRPA1
SCHEMBL9858293 0.86 FFAR1 (0.47) MEN1KMT2A
SCHEMBL9614317 0.84 MMP3 (0.52) ALDH1A1MEN1KMT2AMMP1MMP2
SCHEMBL9614190 0.84 MMP3 (0.52) ALDH1A1MEN1KMT2AMMP1MMP2
SCHEMBL9614242 0.82 TDP1 (0.43) ALDH1A1TRPA1
SCHEMBL9614055 0.81 TRPA1 (0.48) MAPK1TRPA1
SCHEMBL9858299 0.81 PPARG (0.50) ALDH1A1MMP1MMP3
SCHEMBL9857963 0.80 ALDH1A1 (0.44) LMNAALDH1A1NPC1TRPA1
SCHEMBL9614112 0.80 PPARA (0.48) ALDH1A1MEN1KMT2AMMP2TRPA1

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