SCHEMBL3129802

SCHEMBL3129802

CC(C)(C)OC(=O)N1CCC[C@@H]1C(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ATM Q13315 1/20 0.44
NPC1 O15118 2/20 0.42
STS P08842 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 2/20 0.42
CNR1 P21554 2/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
CCR1 P32246 1/20 0.40
ALOX5AP P20292 2/20 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
SCHEMBL3129810 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL925279 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL925410 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL925281 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL925541 0.96 MEN1 (0.44) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL27809198 0.96 MEN1 (0.44) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL925540 0.96 MEN1 (0.44) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL925638 0.90 SLC6A2 (0.49) ALDH1A1MEN1KMT2ANPC1STS
SCHEMBL925639 0.90 SLC6A2 (0.49) ALDH1A1MEN1KMT2ANPC1STS
SCHEMBL21713147 0.89 KLK7 (0.46) ALDH1A1MEN1KMT2ANPC1HTT

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-2170863-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-04-07 EP disclosed
WO-2009006567-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-01-08 WO disclosed