SCHEMBL8512809

SCHEMBL8512809

CC(C)c1ccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
PDE4B Q07343 3/20 0.41
GPR119 Q8TDV5 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
PDE4D Q08499 1/20 0.40
TBK1 Q9UHD2 2/20 0.40
IKBKE Q14164 1/20 0.40
P2RX3 P56373 1/20 0.39
MAP4K4 O95819 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PRMT5 O14744 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
KDM1A O60341 1/20 0.38
NPC1 O15118 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
SCHEMBL8514087 0.93 PDE4B (0.43) CKS1BSKP1SKP2PDE4BGPR119
SCHEMBL8514665 0.86 CKS1B (0.48) CKS1BSKP1SKP2GPR119HRH3
SCHEMBL8510925 0.84 CKS1B (0.45) CKS1BSKP1SKP2GPR119PDE4D
SCHEMBL8513238 0.84 CKS1B (0.47) CKS1BSKP1SKP2GPR119HRH3
SCHEMBL8511684 0.84 CKS1B (0.46) CKS1BSKP1SKP2GPR119PDE4D
SCHEMBL8514572 0.82 CKS1B (0.45) CKS1BSKP1SKP2GPR119HRH3
SCHEMBL8510956 0.82 CKS1B (0.47) CKS1BSKP1SKP2GPR119HRH3
SCHEMBL8514551 0.81 CKS1B (0.45) CKS1BSKP1SKP2GPR119P2RX3
SCHEMBL8512231 0.81 ASIC3 (0.41)
SCHEMBL8511472 0.81 PDE4D (0.51) CKS1BSKP1SKP2GPR119HRH3

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