SCHEMBL8438239

SCHEMBL8438239

CCc1cc(Oc2ccccc2OC)c(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
IDO1 P14902 1/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL8438412 0.88 MEN1 (0.40) HTTALDH1A1KDM4EHPGDKMT2A
SCHEMBL8441432 0.87 MEN1 (0.43) HTTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL8443162 0.86 CXCL8 (0.47) HTTALDH1A1HPGDLMNANPSR1
SCHEMBL8443014 0.86 CXCL8 (0.46) HTT
SCHEMBL8441401 0.86 L3MBTL1 (0.41) ALDH1A1KDM4ENPSR1SMN1; SMN2POLB
SCHEMBL8441923 0.85
SCHEMBL8442155 0.85 HTT (0.56) HTTALDH1A1KDM4EHPGDIDO1
SCHEMBL8439132 0.84 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2POLBMAPT
SCHEMBL8439615 0.83 IDO1 (0.41) ALDH1A1IDO1KMT2A
SCHEMBL8439862 0.83 KDM4E (0.55) KDM4ELMNAPOLBKMT2A

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