SCHEMBL5678261

SCHEMBL5678261

CCOC(=O)C1(C(=O)c2ccc(Cl)cc2Cl)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 1/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.40
ADCY8 P40145 1/20 0.40

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
SCHEMBL9238358 0.95 TDP1 (0.45) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL5682343 0.84 SMN1; SMN2 (0.44) KMT2AMEN1L3MBTL1OPRM1ALDH1A1
SCHEMBL28427045 0.76 SMN1; SMN2 (0.46) KMT2ATDP1KDM4EPOLBTHRB
SCHEMBL10631054 0.76 MEN1 (0.54) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL15601014 0.75 KMT2A (0.52) KMT2AMEN1KDM4EPOLBL3MBTL1
SCHEMBL522136 0.74 KMT2A (0.59) KMT2ATDP1KDM4EPOLBTHRB
SCHEMBL10626036 0.73 MEN1 (0.56) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL5678146 0.72 MEN1 (0.44) KMT2AMEN1POLBL3MBTL1OPRM1
SCHEMBL5682238 0.72 SMN1; SMN2 (0.51) KMT2AMEN1KDM4EOPRM1ALDH1A1
SCHEMBL2706971 0.71 TDP1 (0.51) KMT2AMEN1TDP1KDM4EPOLB

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-1227085-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR TAKEDA PHARMACEUTICAL (JP) 2006-03-15 EP disclosed
US-6800778-B1 OPTICALLY ACTIVE CYCLIC PHOSPHORUS COMPOUND USED AS REAGENT FOR OPTICAL RESOLUTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-05 US disclosed
EP-1227085-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed