SCHEMBL14448996

SCHEMBL14448996

COC(=O)c1cc(C)c(C)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ XDH P47989 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ POLB P06746 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ GFER P55789 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ FUT7 Q11130 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ CNR2 P34972 2/20 0.56
▸ CA12 O43570 3/20 0.55
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ CA7 P43166 3/20 0.55
▸ CA9 Q16790 3/20 0.55
▸ CA14 Q9ULX7 3/20 0.55
▸ CYP3A4 P08684 2/20 0.47

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
SCHEMBL1919075 0.90 KDM4E (0.72) LMNAKDM4EXDHTDP1POLB
SCHEMBL2605591 0.89 CA1 (0.60) LMNAKDM4EXDHTDP1POLB
SCHEMBL3353446 0.84 LMNA (0.77) LMNAKDM4EXDHTDP1POLB
SCHEMBL27898473 0.82 LMNA (0.62) LMNAKDM4EXDHTDP1POLB
SCHEMBL198717 0.81 KDM4E (0.65) LMNAKDM4EXDHTDP1POLB
SCHEMBL22114782 0.81 GAA (0.60) LMNAKDM4EXDHTDP1POLB
SCHEMBL26579409 0.81 LMNA (0.60) LMNAKDM4EXDHTDP1POLB
SCHEMBL9944141 0.81 LMNA (0.60) LMNAKDM4EXDHTDP1POLB
SCHEMBL6066809 0.81 CNR2 (0.62) LMNAKDM4EXDHTDP1POLB
SCHEMBL29555188 0.81 KDM4E (0.66) LMNAKDM4EXDHTDP1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016126941-A1 MULTIMERIC PROTECTED FLUORESCENT REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-08-11 — — WO disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 — — US disclosed
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