SCHEMBL4670952

SCHEMBL4670952

CC(=O)c1cc2c(C)coc2c(Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KCNA3 P22001 5/20 0.34
POLB P06746 2/20 0.33
MAOA P21397 1/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
CREBBP Q92793 1/20 0.32
GPR35 Q9HC97 1/20 0.31
PTPN1 P18031 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4669406 0.73 KCNA3 (0.31) KCNA3MAOA
SCHEMBL4669404 0.73 KCNA3 (0.31) KCNA3MAOA
SCHEMBL4802949 0.72 MAPT (0.38) ALDH1A1MAPK1SMN1; SMN2KCNA3POLB
SCHEMBL6664766 0.70
SCHEMBL6664726 0.68
SCHEMBL15449703 0.66 ABL1 (0.39) ALDH1A1MAPK1SMN1; SMN2POLBTSHR
SCHEMBL2088751 0.66 AHR (0.50) ALDH1A1MAPK1KCNA3MAOATSHR
SCHEMBL1858070 0.66 SMN1; SMN2 (0.37) ALDH1A1MAPK1SMN1; SMN2POLBKDM4E
SCHEMBL9650168 0.65 NQO2 (0.39) ALDH1A1MAPK1SMN1; SMN2POLBKDM4E
SCHEMBL4574258 0.64 MAPT (0.44) ALDH1A1MAPK1SMN1; SMN2MAOATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116795-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE PYRIDINEETHANOL DERIVATIVES KANEKA CORP (JP) 2008-03-12 EP disclosed
US-7329518-B2 Enzyme for producing optically active pyridineethanol derivatives KANEKA CORPORATION (JP) 2008-02-12 US disclosed
US-20040043460-A1 Process for producing optically active pyridineethanol derivatives KANEKA CORPORATION (JP) 2004-03-04 US disclosed
EP-1116795-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE PYRIDINEETHANOL DERIVATIVES KANEKA CORPORATION (JP) 2001-07-18 EP disclosed