SCHEMBL6502658

SCHEMBL6502658

CCOC(=O)C1CCN(c2cccc(C)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.64
NOTUM Q6P988 1/20 0.61
MAPT P10636 5/20 0.58
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PDK2 Q15119 1/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 2/20 0.54
GPR119 Q8TDV5 1/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL4949502 0.88 LGMN (0.62) LGMNMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL655166 0.88 LGMN (0.70) LGMNMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL1573415 0.88 ALDH1A1 (0.64) LGMNNOTUMMAPTALDH1A1KMT2A
SCHEMBL13896504 0.87 ALDH1A1 (0.69) LGMNMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL14321489 0.87 LGMN (0.61) LGMNMAPTALDH1A1KMT2APDK2
SCHEMBL6502744 0.87 LGMN (0.61) LGMNMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL29838655 0.87 LGMN (0.61) LGMNMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL13722253 0.86 NOTUM (0.64) LGMNNOTUMMAPTALDH1A1KMT2A
SCHEMBL5913512 0.86 MAPT (0.67) LGMNMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL24873099 0.85 ALDH1A1 (0.66) NOTUMMAPTALDH1A1KMT2ATSHR

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-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed