SCHEMBL8443162

SCHEMBL8443162

CCc1cc(Oc2ccccc2F)c(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.47
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
WDR5 P61964 1/20 0.39
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 2/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 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
SCHEMBL8441465 0.89 BRD4 (0.43) CARM1PRMT6
SCHEMBL8438239 0.86 HTT (0.54) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL8438412 0.86 MEN1 (0.40) MEN1ALDH1A1HPGDHTTKMT2A
SCHEMBL8443014 0.85 CXCL8 (0.46) CXCL8HTTCCR2
SCHEMBL8438680 0.85 CXCL8 (0.43) CXCL8LPAR1LPAR5
SCHEMBL8439615 0.85 IDO1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL8441401 0.85 L3MBTL1 (0.41) ALDH1A1MAPTALOX15SMN1; SMN2NPSR1
SCHEMBL8440552 0.84
SCHEMBL8439422 0.84 SLC6A4 (0.43) MEN1MAPTHTTKMT2A
SCHEMBL8441904 0.81 PTGER4 (0.40)

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-0708088-B1 Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives MERCK PATENT GMBH (DE) 1999-03-24 EP disclosed
US-5700839-A ANTIARRYTHMIA AGENTS; ACT AS INHIBITORS OF THE CELLULAR NA+/H+ ANTIPORTER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-23 US disclosed
EP-0708088-A1 Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1996-04-24 EP disclosed