SCHEMBL26044883

SCHEMBL26044883

CCCCCC1CCC(C(=O)c2ccc(OCCCC)c(F)c2F)CC1

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
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
PKM P14618 1/20 0.38
CYP2C9 P11712 2/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL26044884 0.98 CNR1 (0.40) CCNE2CCNE1CDK2CNR1CNR2
SCHEMBL26044906 0.97 CCNE2 (0.38) CCNE2CCNE1CDK2CNR1CNR2
SCHEMBL26044881 0.97 PKM (0.37) CCNE2CCNE1CDK2CNR1CNR2
SCHEMBL26044872 0.96 CCNE2 (0.40) CCNE2CCNE1CDK2CNR1CNR2
SCHEMBL26044875 0.95 CNR1 (0.40) CCNE2CCNE1CDK2CNR1CNR2
SCHEMBL26044907 0.94 CNR1 (0.38) CCNE2CCNE1CDK2CNR1CNR2
SCHEMBL26044878 0.94 HTT (0.39) CCNE2CCNE1CDK2CNR2PKM
SCHEMBL26044865 0.94 CCNE2 (0.40) CCNE2CCNE1CDK2CNR1CNR2
SCHEMBL26044904 0.93 PKM (0.35) CCNE2CCNE1CDK2CNR1CNR2
SCHEMBL26044899 0.93 CCNE2 (0.38) CCNE2CCNE1CDK2CNR1CNR2

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