SCHEMBL4583741

SCHEMBL4583741

COc1ccc(C[C@](CO)(NC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.43
MMP13 P45452 3/20 0.43
HTT P42858 1/20 0.43
LDHA P00338 1/20 0.43
F2RL1 P55085 1/20 0.42
MMP9 P14780 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
EPHX2 P34913 1/20 0.41
RAB9A P51151 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPRB P23467 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
VNN1 O95497 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1273081 0.83 CYP3A4 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4073210 0.83 CYP3A4 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3725498 0.83 KDM4E (0.51) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL4773478 0.82 LMNA (0.41) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL4594149 0.79 RAB9A (0.43) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL4583410 0.78 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3722221 0.76 RIPK1 (0.40) HTTEPHX2NR1H4POLBKDM4E
SCHEMBL3958834 0.74 OPRM1 (0.41) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL2882036 0.72 PPARA (0.43) NPC1RAB9AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL1539491 0.72 VNN1 (0.42) MEN1KMT2ARAB9APOLBVNN1

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-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed