SCHEMBL4594860

SCHEMBL4594860

CC(C)(C)C(CC(O)C1CCCCC1)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MMP1 P03956 1/20 0.34
MMP8 P22894 1/20 0.34
ADAM17 P78536 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
CPB2 Q96IY4 2/20 0.34
EPHX2 P34913 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL1583311 0.74 KDM4E (0.43) SMN1; SMN2KDM4ELMNAALDH1A1EPHX2
SCHEMBL4595419 0.72 CA12 (0.40) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL2322983 0.71 KDM4E (0.39) SMN1; SMN2KDM4ELMNAALDH1A1EPHX2
SCHEMBL490640 0.71 CTSK (0.48) EPHX1
SCHEMBL1147462 0.71 CTSK (0.48) EPHX1
SCHEMBL1069360 0.69 OR51E2 (0.33) LMNAMMP1
SCHEMBL3586116 0.69 TP53 (0.50) TP53SMN1; SMN2KDM4EGMNNLMNA
SCHEMBL1862557 0.69 CA12 (0.34) SMN1; SMN2ALDH1A1MMP1MMP8ADAM17
SCHEMBL6938204 0.69 CA12 (0.34) SMN1; SMN2ALDH1A1MMP1MMP8ADAM17
SCHEMBL3579526 0.67 TP53 (0.47) TP53SMN1; SMN2KDM4EGMNNLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed