SCHEMBL1709360

SCHEMBL1709360

CCOC(=O)C[C@@H]1CC[C@@H](N)[C@H](c2ccc(C(C)C)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
SLC6A3 Q01959 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
TP53 P04637 2/20 0.34
MDM2 Q00987 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL1709367 0.88 MEN1 (0.46) SMN1; SMN2MEN1KMT2ATP53MDM2
SCHEMBL1709472 0.84 DGAT1 (0.39) SMN1; SMN2LMNAALDH1A1JAK2JAK1
SCHEMBL28171053 0.80 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2LMNAHTTMEN1
SCHEMBL10032839 0.78 KDM1A (0.40) L3MBTL1JAK2JAK1TYK2JAK3
SCHEMBL1709417 0.77 DPP4 (0.42) L3MBTL1MEN1KMT2ARAB9AKDM4E
SCHEMBL6917416 0.76 MDM2 (0.48) SLC6A3TP53MDM2
SCHEMBL1709456 0.75 ALDH1A1 (0.45) SMN1; SMN2KMT2AALDH1A1TP53MDM2
SCHEMBL1709495 0.74 MEN1 (0.38) SMN1; SMN2MEN1KMT2ATP53MDM2
SCHEMBL6918303 0.73 KDM1A (0.47) SLC6A3
SCHEMBL13009584 0.73 DGAT1 (0.42) L3MBTL1LMNAHTTMEN1KMT2A

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