SCHEMBL27933965

SCHEMBL27933965

O=C(O)C1CN2CCCC2[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2D6 P10635 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BLM P54132 1/20 0.33
TFPI2 P48307 1/20 0.33
NOTUM Q6P988 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28022336 0.80 GPR119 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28022342 0.75 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APOLB
SCHEMBL28022859 0.75 GAA (0.53) ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL14061760 0.74 MEN1 (0.40) ALDH1A1MEN1KMT2ATDP1
SCHEMBL6262157 0.74 MEN1 (0.40) ALDH1A1MEN1KMT2ATDP1
Ammonium Lupinoate SCHEMBL4037708 0.72 TDP1 (0.47) MEN1KMT2ACYP2D6LMNATDP1
Ammonium Lupinoate SCHEMBL29108993 0.71 TDP1 (0.46) ALDH1A1MEN1KMT2ATDP1
Ammonium Lupinoate SCHEMBL27185103 0.71 TDP1 (0.46) ALDH1A1MEN1KMT2ATDP1
Ammonium Lupinoate SCHEMBL29108995 0.71 TDP1 (0.46) ALDH1A1MEN1KMT2ATDP1
SCHEMBL10340120 0.69 TDP1 (0.44) MEN1KMT2ACYP2D6LMNATDP1

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
CN-103491955-B Combination of a phosphatidylinositol-3-kinase (PI3K) inhibitor and an MTOR inhibitor NOVARTIS AG (CH) 2015-12-23 CN claimed
CN-103491955-A Combination of a phosphatidylinositol-3-kinase (PI3K) inhibitor and an MTOR inhibitor NOVARTIS AG 2014-01-01 CN claimed
CN-103491955-B Combination of a phosphatidylinositol-3-kinase (PI3K) inhibitor and an MTOR inhibitor NOVARTIS AG (CH) 2015-12-23 CN disclosed
CN-103491955-A Combination of a phosphatidylinositol-3-kinase (PI3K) inhibitor and an MTOR inhibitor NOVARTIS AG 2014-01-01 CN disclosed