SCHEMBL1709507

SCHEMBL1709507

CCOC(=O)C[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.42
ABCC1 P33527 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
PROKR1 Q8TCW9 2/20 0.40
GAA P10253 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1D Q01668 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL13009581 0.88 ESR2 (0.48) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13009578 0.87 LMNA (0.40) FFAR4ALDH1A1L3MBTL1LMNAHTT
SCHEMBL1709504 0.87 LMNA (0.40) FFAR4ALDH1A1L3MBTL1LMNAHTT
SCHEMBL8587317 0.86 ALDH1A1 (0.47) MEN1KMT2ATP53SMN1; SMN2HPGD
SCHEMBL13008742 0.85 CNR2 (0.45) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10032835 0.81 FFAR4 (0.47) TP53FFAR4
SCHEMBL13009582 0.79 DRD2 (0.51) FFAR4POLB
SCHEMBL13169131 0.79 DGAT1 (0.42) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL13009584 0.79 DGAT1 (0.42) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL13009593 0.79 DGAT1 (0.42) MEN1KMT2AALDH1A1L3MBTL1LMNA

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
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed