SCHEMBL27657494

SCHEMBL27657494

CCCCNC(CO)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CNR1 P21554 1/20 0.48
ADRA1A P35348 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ABCC3 O15438 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G10 O15496 3/20 0.40
BCHE P06276 1/20 0.38
MMP8 P22894 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL28089033 0.94 LMNA (0.46) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL28089031 0.94 LMNA (0.46) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL7912193 0.86 LMNA (0.56) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL4781590 0.82 LMNA (0.73) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL23710839 0.82 LMNA (0.41) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL4776978 0.80 LMNA (0.50) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL1219703 0.79 LMNA (0.54) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL4730828 0.79 LMNA (0.48) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL23844645 0.79 LMNA (0.48) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL8367371 0.79 LMNA (0.48) LMNAKDM4ECNR1ADRA1ATDP1

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
CN-101346373-B 2,2',6,6' -tetraoxazoline biphenyl ligand and preparation method thereof UNIV SHANGHAI JIAOTONG 2012-01-18 CN disclosed
CN-100349880-C 2,2', 6,6'-tetraoxazoline diphenyl ligancy and preparation process thereof UNIV SHANGHAI JIAOTONG (CN) 2007-11-21 CN disclosed
CN-1793130-A 2,2', 6,6'-tetraoxazoline diphenyl ligancy and preparation process thereof UNIV SHANGHAI JIAOTONG (CN) 2006-06-28 CN disclosed