SCHEMBL8513429

SCHEMBL8513429

CC(C)Oc1cc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1C(C)(C)O

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
MAP4K4 O95819 1/20 0.41
SUV39H2 Q9H5I1 2/20 0.41
PRMT5 O14744 1/20 0.40
SMPD3 Q9NY59 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
PDE4D Q08499 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
RET P07949 2/20 0.38
PTPN11 Q06124 1/20 0.38
ATR Q13535 1/20 0.38
LRRK2 Q5S007 1/20 0.37
ADORA2A P29274 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
WNT3A P56704 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
SCHEMBL8515307 0.93 CKS1B (0.44) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8515036 0.88 CKS1B (0.45) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8514665 0.81 CKS1B (0.48) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8510956 0.79 CKS1B (0.47) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8513238 0.79 CKS1B (0.47) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8514133 0.79 CKS1B (0.48) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8510925 0.79 CKS1B (0.45) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8513316 0.79 CKS1B (0.45) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL3275117 0.78 CKS1B (0.65) CKS1BSKP1SKP2MAP4K4PRMT5
SCHEMBL8511684 0.78 CKS1B (0.46) CKS1BSKP1SKP2MAP4K4SUV39H2

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