SCHEMBL2553609

SCHEMBL2553609

CC(C)(C)OC(=O)NC1CCN(c2ccccc2CC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.54
SKP1 P63208 1/20 0.54
SKP2 Q13309 1/20 0.54
KCNA3 P22001 1/20 0.53
PIM1 P11309 1/20 0.52
PIM3 Q86V86 1/20 0.52
PIM2 Q9P1W9 1/20 0.52
KDM1A O60341 1/20 0.51
MAOB P27338 1/20 0.51
DRD2 P14416 5/20 0.50
DRD3 P35462 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NAMPT P43490 1/20 0.45
CCR5 P51681 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44
HRH1 P35367 1/20 0.43

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
SCHEMBL2462705 0.87 CKS1B (0.53) CKS1BSKP1SKP2KCNA3PIM1
SCHEMBL6502339 0.86 KCNA3 (0.53) CKS1BSKP1SKP2KCNA3PIM1
SCHEMBL6503772 0.82 CKS1B (0.48) CKS1BSKP1SKP2KCNA3PIM1
SCHEMBL6503768 0.82 CKS1B (0.48) CKS1BSKP1SKP2KCNA3PIM1
SCHEMBL24292130 0.82 KCNA3 (0.49) CKS1BSKP1SKP2KCNA3PIM1
SCHEMBL17830852 0.81 CKS1B (0.61) CKS1BSKP1SKP2KCNA3PIM1
SCHEMBL1271996 0.81 CKS1B (0.55) CKS1BSKP1SKP2KCNA3PIM1
SCHEMBL6223295 0.80 CKS1B (0.46) CKS1BSKP1SKP2KCNA3PIM1
SCHEMBL19284706 0.80 CKS1B (0.57) CKS1BSKP1SKP2KCNA3PIM1
SCHEMBL20133857 0.80 DRD2 (0.60) CKS1BSKP1SKP2KCNA3PIM1

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-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed