SCHEMBL8276140

SCHEMBL8276140

CC(C)(C)OC(=O)CCC(=O)N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 4/20 0.41
NPC1 O15118 2/20 0.39
PREP P48147 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL31129062 0.98 KMT2A (0.49) ATML3MBTL1TDP1MEN1KMT2A
SCHEMBL30964113 0.84 POLB (0.64) L3MBTL1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL9158848 0.83 HPGD (0.42) ATML3MBTL1TDP1MEN1KMT2A
SCHEMBL25771063 0.77 KMT2A (0.51) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL25148205 0.77 POLB (0.55) L3MBTL1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL17576885 0.77 GLA (0.54) ATML3MBTL1TDP1MEN1KMT2A
SCHEMBL644646 0.77 TSHR (0.45) TDP1ALDH1A1TSHR
SCHEMBL23119464 0.76 EPHX2 (0.50) ALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL12014400 0.76 ALDH1A1 (0.48) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13672719 0.76 ATM (0.52) ATML3MBTL1TDP1MEN1KMT2A

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
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 WO disclosed