SCHEMBL8510649

SCHEMBL8510649

CC(C)COc1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
MAP4K4 O95819 1/20 0.42
RET P07949 4/20 0.40
GPR119 Q8TDV5 2/20 0.40
SUV39H2 Q9H5I1 2/20 0.40
PDE4D Q08499 1/20 0.39
PRMT5 O14744 1/20 0.39
WNT3A P56704 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PGK1 P00558 1/20 0.39
SMPD3 Q9NY59 1/20 0.38
ACHE P22303 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL8510925 0.93 CKS1B (0.45) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8515235 0.90 CKS1B (0.46) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8511506 0.90 ITGB2 (0.47) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8513316 0.90 CKS1B (0.45) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8511472 0.89 PDE4D (0.51) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8514665 0.87 CKS1B (0.48) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8510959 0.87 CKS1B (0.44) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8510956 0.85 CKS1B (0.47) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8513178 0.85 CKS1B (0.44) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8514087 0.84 PDE4B (0.43) CKS1BSKP1SKP2ITGB2ICAM1

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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed