SCHEMBL8515307

SCHEMBL8515307

CC(C)Oc1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C(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
SMPD3 Q9NY59 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
PDE4D Q08499 1/20 0.39
PRMT5 O14744 1/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
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
CNR1 P21554 1/20 0.38
ATR Q13535 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL8515036 0.94 CKS1B (0.45) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8513429 0.93 CKS1B (0.44) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8513316 0.82 CKS1B (0.45) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8514665 0.81 CKS1B (0.48) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8514133 0.81 CKS1B (0.48) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8513178 0.80 CKS1B (0.44) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8510959 0.80 CKS1B (0.44) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8510956 0.79 CKS1B (0.47) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8513238 0.79 CKS1B (0.47) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL8514027 0.79 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