SCHEMBL8510959

SCHEMBL8510959

CCC(C)Oc1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
MAP4K4 O95819 1/20 0.39
SUV39H2 Q9H5I1 2/20 0.39
PDE4D Q08499 1/20 0.39
PRMT5 O14744 1/20 0.39
PGK1 P00558 1/20 0.39
RET P07949 2/20 0.38
CNR1 P21554 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
ADORA2A P29274 1/20 0.38
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
WNT3A P56704 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL8513178 0.88 CKS1B (0.44) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8515235 0.88 CKS1B (0.46) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8510649 0.87 CKS1B (0.45) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8514665 0.86 CKS1B (0.48) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8511506 0.86 ITGB2 (0.47) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8511472 0.85 PDE4D (0.51) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8510956 0.85 CKS1B (0.47) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8514087 0.84 PDE4B (0.43) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8511684 0.83 CKS1B (0.46) CKS1BSKP1SKP2ITGB2ICAM1
SCHEMBL8513238 0.83 CKS1B (0.47) 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