SCHEMBL26044893

SCHEMBL26044893

CCCOc1ccc(C(=O)C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SCN9A Q15858 2/20 0.34
ACACB O00763 2/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
TLR4 O00206 1/20 0.32
LMNA P02545 1/20 0.32
NTSR1 P30989 1/20 0.32
ATM Q13315 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
SCHEMBL26044864 0.96 CNR1 (0.38) CNR1CNR2SCN9AACACBCYP2C9
SCHEMBL26044894 0.94 CCNE2 (0.38) CNR1CNR2SCN9ACYP2C9MAPT
SCHEMBL26044898 0.93 CCNE2 (0.35) CNR1CNR2SCN9ACYP2C9HTT
SCHEMBL26044895 0.93 CNR1 (0.38) CNR1CNR2CYP2C9MAPTCCNE2
SCHEMBL26044891 0.93 HTT (0.39) CYP2C9HTTTDP1MAPTALDH1A1
SCHEMBL26044904 0.92 PKM (0.35) CNR1CNR2SCN9ACYP2C9HTT
SCHEMBL26044888 0.92 CNR1 (0.36) CNR1CNR2ACACBHTTTDP1
SCHEMBL26044865 0.91 CCNE2 (0.40) CNR1CNR2SCN9ACYP2C9HTT
SCHEMBL26044867 0.90 CNR1 (0.40) CNR1CNR2CYP2C9MAPTCCNE2
SCHEMBL26044869 0.90 CCNE2 (0.37) CNR1CNR2SCN9ACYP2C9HTT

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
US-20230265345-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2023-08-24 US disclosed