SCHEMBL26044864

SCHEMBL26044864

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
SCN9A Q15858 2/20 0.36
CYP2C9 P11712 1/20 0.35
ACACB O00763 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NTSR1 P30989 1/20 0.33
ATM Q13315 1/20 0.33
PPARG P37231 1/20 0.33
TP53 P04637 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
SCHEMBL26044893 0.96 CNR1 (0.36) CNR1CNR2SCN9ACYP2C9ACACB
SCHEMBL26044865 0.94 CCNE2 (0.40) CNR1CNR2SCN9ACYP2C9HTT
SCHEMBL26044867 0.93 CNR1 (0.40) CNR1CNR2CYP2C9MAPTLMNA
SCHEMBL26044869 0.93 CCNE2 (0.37) CNR1CNR2SCN9ACYP2C9HTT
SCHEMBL17616205 0.93 HTT (0.41) CYP2C9HTTTDP1MAPTALDH1A1
SCHEMBL26044881 0.92 PKM (0.37) CNR1CNR2SCN9ACYP2C9HTT
SCHEMBL26044859 0.91 CNR1 (0.38) CNR1CNR2ACACBHTTTDP1
SCHEMBL26044894 0.91 CCNE2 (0.38) CNR1CNR2SCN9ACYP2C9MAPT
SCHEMBL26044898 0.90 CCNE2 (0.35) CNR1CNR2SCN9ACYP2C9HTT
SCHEMBL26044872 0.89 CCNE2 (0.40) 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