SCHEMBL10279946

SCHEMBL10279946

CCOC(=O)[C@H]1CC[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GHSR Q92847 8/20 0.42
KCNH2 Q12809 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
PYGL P06737 2/20 0.40
PYGM P11217 1/20 0.40
F10 P00742 4/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL765470 0.92 MEN1 (0.53) RAB9AMEN1KMT2AATMPYGL
SCHEMBL1504009 0.92 MEN1 (0.53) RAB9AMEN1KMT2AATMPYGL
SCHEMBL3338646 0.92 MEN1 (0.53) RAB9AMEN1KMT2AATMPYGL
SCHEMBL3308688 0.92 MEN1 (0.53) RAB9AMEN1KMT2AATMPYGL
SCHEMBL765158 0.92 MLLT1 (0.47) RAB9ANPC1POLBGHSRMEN1
SCHEMBL10476595 0.92 MEN1 (0.53) RAB9AMEN1KMT2AATMPYGL
SCHEMBL1503872 0.92 MEN1 (0.53) RAB9AMEN1KMT2AATMPYGL
SCHEMBL763991 0.92 MEN1 (0.53) RAB9AMEN1KMT2AATMPYGL
SCHEMBL10476645 0.92 MEN1 (0.53) RAB9AMEN1KMT2AATMPYGL
SCHEMBL10476677 0.92 MEN1 (0.53) RAB9AMEN1KMT2AATMPYGL

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
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed