SCHEMBL6207726

SCHEMBL6207726

CCCCOC(=O)N1CCCC1C=C(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GBA2 Q9HCG7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
EPHX2 P34913 1/20 0.33
ACE P12821 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
FKBP1A P62942 2/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL2723323 0.86 LMNA (0.44) LMNAPOLBSMN1; SMN2GBA2L3MBTL1
SCHEMBL32681452 0.86 LMNA (0.44) LMNAPOLBSMN1; SMN2GBA2L3MBTL1
SCHEMBL27919865 0.83 HPGD (0.42) LMNAPOLBSMN1; SMN2GBA2L3MBTL1
SCHEMBL9275749 0.82 SMN1; SMN2 (0.43) LMNAPOLBSMN1; SMN2GBA2L3MBTL1
SCHEMBL9769183 0.81 GBA2 (0.48) LMNAPOLBSMN1; SMN2GBA2L3MBTL1
SCHEMBL30485004 0.78 ATM (0.43) LMNAPOLBSMN1; SMN2GBA2L3MBTL1
SCHEMBL6248598 0.77 SMN1; SMN2 (0.44) LMNAPOLBSMN1; SMN2GBA2L3MBTL1
SCHEMBL2731646 0.77 POLB (0.46) LMNAPOLBSMN1; SMN2GBA2L3MBTL1
SCHEMBL4202768 0.77 POLB (0.46) LMNAPOLBSMN1; SMN2GBA2L3MBTL1
SCHEMBL7563929 0.76 POLB (0.43) LMNAPOLBSMN1; SMN2GBA2L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 WO disclosed