SCHEMBL13537792

SCHEMBL13537792

CC(C)(C)OC(=O)NCCC(=O)N1CCN(c2ccc(C(C)(F)F)cc2/C=C2\SC(=O)NC2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.48
▸ PIM2 Q9P1W9 3/20 0.48
▸ PIM3 Q86V86 2/20 0.48
▸ SIGMAR1 Q99720 2/20 0.41
▸ PTPN1 P18031 5/20 0.38
▸ NR1H4 Q96RI1 2/20 0.37
▸ GPR119 Q8TDV5 3/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ ESRRA P11474 1/20 0.35
▸ DRD2 P14416 1/20 0.35

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
SCHEMBL2423844 0.95 PIM1 (0.48) PIM1PIM2PIM3SIGMAR1PTPN1
SCHEMBL2423842 0.95 PIM1 (0.48) PIM1PIM2PIM3SIGMAR1PTPN1
SCHEMBL13537962 0.85 GPR119 (0.49) PIM1PIM2PIM3PTPN1NR1H4
SCHEMBL2421672 0.84 PIM1 (0.60) PIM1PIM2PIM3SIGMAR1GFER
SCHEMBL2421675 0.84 PIM1 (0.60) PIM1PIM2PIM3SIGMAR1GFER
SCHEMBL2421668 0.84 PIM1 (0.60) PIM1PIM2PIM3SIGMAR1GFER
SCHEMBL2426855 0.83 PIM1 (0.61) PIM1PIM2PIM3SIGMAR1DRD2
SCHEMBL2426851 0.83 PIM1 (0.61) PIM1PIM2PIM3SIGMAR1DRD2
SCHEMBL2426595 0.82 PIM1 (0.61) PIM1PIM2PIM3SIGMAR1ALDH1A1
SCHEMBL2426598 0.82 PIM1 (0.61) PIM1PIM2PIM3SIGMAR1ALDH1A1

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-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — WO disclosed
Send feedback