SCHEMBL4381017

SCHEMBL4381017

CC(C)(C)C(NC(=O)O)C(O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
METAP2 P50579 5/20 0.44
METAP1 P53582 5/20 0.44
SSTR4 P31391 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
EPHX2 P34913 2/20 0.41
HDAC3 O15379 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4371317 0.84 ALDH1A1 (0.48) ALDH1A1METAP2METAP1LMNAGAA
SCHEMBL4384637 0.77 POLB (0.39) ALDH1A1LMNA
SCHEMBL4380601 0.77 SLC6A4 (0.47) ALDH1A1LMNACYP2C9
SCHEMBL8518963 0.75 LMNA (0.61) METAP2METAP1SSTR4LMNAGAA
SCHEMBL2934798 0.75 LMNA (0.61) METAP2METAP1SSTR4LMNAGAA
SCHEMBL7263715 0.75 LMNA (0.61) METAP2METAP1SSTR4LMNAGAA
SCHEMBL9950214 0.74 ALDH1A1 (0.62) ALDH1A1CYP2C9
SCHEMBL9950211 0.74 ALDH1A1 (0.62) ALDH1A1CYP2C9
SCHEMBL30861790 0.74 ALDH1A1 (0.62) ALDH1A1CYP2C9
SCHEMBL19514728 0.74 ALDH1A1 (0.62) ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
EP-2114388-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-11-11 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed
WO-2008098105-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed