SCHEMBL26044889

SCHEMBL26044889

CCCCOc1ccc(C(=O)C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CNR2 P34972 5/20 0.37
CNR1 P21554 4/20 0.37
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
SCN9A Q15858 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
CRBN Q96SW2 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL26044890 0.97 CNR1 (0.38) CCNE2CCNE1CDK2CNR2CNR1
SCHEMBL26044861 0.96 CCNE2 (0.41) CCNE2CCNE1CDK2CNR2CNR1
SCHEMBL26044888 0.94 CNR1 (0.36) CCNE2CCNE1CDK2CNR2CNR1
SCHEMBL26044862 0.93 CNR1 (0.40) CCNE2CCNE1CDK2CNR2CNR1
SCHEMBL26044894 0.92 CCNE2 (0.38) CCNE2CCNE1CDK2CNR2CNR1
SCHEMBL26044899 0.92 CCNE2 (0.38) CCNE2CCNE1CDK2CNR2CNR1
SCHEMBL26044906 0.91 CCNE2 (0.38) CCNE2CCNE1CDK2CNR2CNR1
SCHEMBL26044859 0.91 CNR1 (0.38) CCNE2CCNE1CDK2CNR2CNR1
SCHEMBL26044886 0.91 HTT (0.40) CNR2CNR1ALDH1A1NPC1RAB9A
SCHEMBL26044907 0.89 CNR1 (0.38) CCNE2CCNE1CDK2CNR2CNR1

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