SCHEMBL28040139

SCHEMBL28040139

CCCCOC(=O)N1CCC(NC2CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.63
ATM Q13315 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NOS2 P35228 3/20 0.42
NOS3 P29474 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
EPHX2 P34913 1/20 0.42
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL525854 0.88 LMNA (0.56) THRBATML3MBTL1LMNAPOLB
SCHEMBL6582665 0.87 LMNA (0.52) THRBATML3MBTL1LMNAPOLB
SCHEMBL7449135 0.83 POLB (0.63) THRBATML3MBTL1LMNAPOLB
SCHEMBL11974037 0.83 POLB (0.58) THRBATML3MBTL1LMNAPOLB
SCHEMBL30802296 0.82 SMN1; SMN2 (0.51) THRBATML3MBTL1LMNAPOLB
SCHEMBL15048844 0.82 LMNA (0.51) THRBATML3MBTL1LMNAPOLB
SCHEMBL7339506 0.82 LMNA (0.61) THRBATML3MBTL1LMNAPOLB
SCHEMBL184778 0.82 LMNA (0.61) THRBATML3MBTL1LMNAPOLB
SCHEMBL19279385 0.82 LMNA (0.50) THRBATML3MBTL1LMNAPOLB
SCHEMBL30297461 0.82 LMNA (0.50) THRBATML3MBTL1LMNAPOLB

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
CN-105085515-A Hydrazide compound as blood coagulation factor Xa inhibitor NANJING MINGDE NEW DRUG RES AND DEV CO LTD 2015-11-25 CN disclosed