SCHEMBL8511684

SCHEMBL8511684

CCCOc1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
MAP4K4 O95819 1/20 0.41
WNT3A P56704 1/20 0.41
PGK1 P00558 1/20 0.40
RET P07949 4/20 0.40
GPR119 Q8TDV5 3/20 0.40
SUV39H2 Q9H5I1 2/20 0.39
PDE4D Q08499 1/20 0.39
PRMT5 O14744 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39

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
SCHEMBL8515235 0.93 CKS1B (0.46) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8510925 0.90 CKS1B (0.45) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8514665 0.86 CKS1B (0.48) CKS1BSKP1SKP2ITGB2ICAM1
Hydrochloric Acid SCHEMBL8510657 0.85 TBK1 (0.39) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8513238 0.85 CKS1B (0.47) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8512809 0.84 CKS1B (0.42) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8510649 0.83 CKS1B (0.45) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8514572 0.83 CKS1B (0.45) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8511506 0.83 ITGB2 (0.47) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8510959 0.83 CKS1B (0.44) 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