SCHEMBL26044852

SCHEMBL26044852

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
NTSR1 P30989 1/20 0.34
ATM Q13315 1/20 0.34
KCNT1 Q5JUK3 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL26044854 0.94 CCNE2 (0.41) CNR1CNR2HTTTDP1CCNE2
SCHEMBL26044855 0.93 CNR1 (0.41) CNR1CNR2CCNE2CCNE1CDK2
SCHEMBL26044850 0.91 HTT (0.43) HTTTDP1ALDH1A1SMN1; SMN2GAA
SCHEMBL26044859 0.89 CNR1 (0.38) CNR1CNR2HTTTDP1CCNE2
SCHEMBL26044864 0.88 CNR1 (0.38) CNR1CNR2HTTTDP1CCNE2
SCHEMBL26044869 0.85 CCNE2 (0.37) CNR1CNR2HTTCCNE2CCNE1
SCHEMBL26044888 0.85 CNR1 (0.36) CNR1CNR2HTTTDP1CCNE2
SCHEMBL26044881 0.84 PKM (0.37) CNR1CNR2HTTCCNE2CCNE1
SCHEMBL26044893 0.84 CNR1 (0.36) CNR1CNR2HTTTDP1CCNE2
SCHEMBL26044861 0.82 CCNE2 (0.41) CNR1CNR2HTTTDP1CCNE2

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