SCHEMBL19199839

SCHEMBL19199839

COC(=O)CCCC(=O)N1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.70
ATM Q13315 1/20 0.67
L3MBTL1 Q9Y468 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
TSHR P16473 2/20 0.56
EPHX1 P07099 1/20 0.48
EPHX2 P34913 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL22623111 0.91 GLA (0.67) GLAATML3MBTL1MEN1KMT2A
SCHEMBL17576885 0.89 GLA (0.54) GLAATML3MBTL1MEN1KMT2A
SCHEMBL14980458 0.85 GLA (0.70) GLAATML3MBTL1MEN1KMT2A
SCHEMBL19574089 0.84 ATM (0.95) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL5131693 0.81 ATM (0.67) GLAATML3MBTL1MEN1KMT2A
SCHEMBL27487132 0.80 ATM (0.85) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL10722542 0.80 ATM (0.85) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL28366947 0.80 ATM (0.85) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL15685301 0.79 ATM (0.69) GLAATML3MBTL1MEN1KMT2A
SCHEMBL10304081 0.79 POLB (0.68) GLAMEN1KMT2ARAB9ANPC1

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-2017131156-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 東レ株式会社 2017-08-03 WO disclosed