SCHEMBL28197841

SCHEMBL28197841

CC(C)[Si](c1[nH]c2ccc(Br)cc2c1C=O)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PIM1 P11309 2/20 0.40
PIM3 Q86V86 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
GSK3B P49841 3/20 0.37
CHUK O15111 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.37
HAVCR2 Q8TDQ0 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
PRNP P04156 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36

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
SCHEMBL28197840 0.83 KEAP1 (0.41) LMNAHPGDCHUKJAK2BAZ2B
SCHEMBL28197177 0.83 LMNA (0.45) LMNAHPGDSIRT1CHUKMAPT
SCHEMBL28197843 0.81 ALDH1A1 (0.49) HPGDCHUKMAPTHSD17B10HAVCR2
SCHEMBL28197180 0.79 AHR (0.41) LMNAHPGDGSK3BMAPTHSD17B10
SCHEMBL3198006 0.75 LMNA (0.51) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL28460398 0.72 PIM1 (0.46) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL29951828 0.72 PIM1 (0.46) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL16920112 0.72 PIM1 (0.46) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL29951788 0.72 HPGD (0.44) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL29954657 0.72 LMNA (0.44) LMNAHPGDPIM1PIM3GSK3B

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-107573335-A A kind of hand oxazole alkyl compound and preparation method thereof 安徽师范大学 2018-01-12 CN disclosed