SCHEMBL4013628

SCHEMBL4013628

CCOC(=O)C(CC1CCCCO1)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11531232 0.88 LMNA (0.45) HTTKMT2AMEN1LMNAPOLB
SCHEMBL9510197 0.81 ALDH1A1 (0.40) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL27741276 0.79 ALDH1A1 (0.43) HTTKMT2AMEN1LMNAPOLB
SCHEMBL8784684 0.76 METAP2 (0.40) ALDH1A1L3MBTL1
SCHEMBL7892110 0.76 LMNA (0.43) HTTKMT2AMEN1LMNAPOLB
SCHEMBL11923661 0.76 LMNA (0.43) HTTKMT2AMEN1LMNAPOLB
SCHEMBL7880901 0.76 LMNA (0.43) HTTKMT2AMEN1LMNAPOLB
SCHEMBL7892540 0.76 LMNA (0.43) HTTKMT2AMEN1LMNAPOLB
SCHEMBL27761827 0.76 ALDH1A1 (0.44) HTTKMT2AMEN1LMNAPOLB
SCHEMBL7888501 0.76 LMNA (0.43) HTTKMT2AMEN1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed