SCHEMBL7086091

SCHEMBL7086091

O=C(c1cc(=O)c2ccccc2o1)N1CCSCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
KDM4E B2RXH2 3/20 0.56
USP2 O75604 1/20 0.56
CSNK2A2 P19784 1/20 0.56
PTGS1 P23219 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
CSNK2A3 Q8NEV1 1/20 0.56
ALDH1A1 P00352 8/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 4/20 0.51
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TNKS O95271 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47

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
SCHEMBL27937992 0.85 POLB (0.65) POLBKDM4EUSP2CSNK2A2PTGS1
SCHEMBL1942279 0.82 POLB (0.71) POLBKDM4EUSP2CSNK2A2PTGS1
SCHEMBL1941907 0.78 ALDH1A1 (0.74) POLBKDM4EUSP2CSNK2A2PTGS1
SCHEMBL1944863 0.76 RAB9A (0.70) POLBKDM4EUSP2CSNK2A2PTGS1
SCHEMBL25246006 0.74 PRKDC (0.71) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL1943197 0.74 ALDH1A1 (0.78) POLBKDM4EALDH1A1LMNAMAPT
SCHEMBL7223900 0.74 MAOB (0.61) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL29569747 0.73 KDM4E (0.74) POLBKDM4EUSP2CSNK2A2PTGS1
Chromocarb SCHEMBL432304 0.73 KDM4E (1.00) POLBKDM4EUSP2CSNK2A2PTGS1
Chromocarb SCHEMBL29355904 0.73 KDM4E (1.00) POLBKDM4EUSP2CSNK2A2PTGS1

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-0787723-B1 CYCLOPROPACHROMENECARBOXYLATE DERIVATIVES SUNTORY LTD (JP) 2003-01-15 EP disclosed
US-5843988-A Cyclopropachromencarboxylic acid derivatives SUNTORY LIMITED (JP) 1998-12-01 US disclosed
EP-0787723-A1 CYCLOPROPACHROMENECARBOXYLATE DERIVATIVES SUNTORY LIMITED (JP) 1997-08-06 EP disclosed