SCHEMBL15225779

SCHEMBL15225779

CCOC(=O)C1CNCCN1C(=O)NC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SIGMAR1 Q99720 2/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FKBP1A P62942 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
SCHEMBL15225718 0.83 TSHR (0.58) POLBTSHRALDH1A1NPSR1HTT
SCHEMBL15226049 0.79 KDM4E (0.48) POLBTSHRALDH1A1NPSR1HTT
SCHEMBL4532848 0.77 FKBP1A (0.38) TSHRALDH1A1FKBP1A
SCHEMBL8025147 0.77 FKBP1A (0.38) ALDH1A1FKBP1A
SCHEMBL5678810 0.77 L3MBTL1 (0.35) TSHRALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL15225968 0.72 LMNA (0.48) POLBALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL6541621 0.72 PARP1 (0.43) TSHRALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL7054243 0.72 PARP1 (0.43) TSHRALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL7056396 0.72 PARP1 (0.43) TSHRALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL3316200 0.71 MAPT (0.39) TSHRALDH1A1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616859-B1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP claimed