SCHEMBL4622387

SCHEMBL4622387

CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)CCCC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.56
PKM P14618 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2C19 P33261 2/20 0.55
DNMT3B Q9UBC3 1/20 0.55
PTGS2 P35354 1/20 0.51
MAPT P10636 5/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
GAA P10253 1/20 0.47
ACE P12821 1/20 0.47
KDM4E B2RXH2 2/20 0.47
APAF1 O14727 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 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
SCHEMBL17525613 1.00 DNMT1 (0.56) DNMT1PKMKMT2ACYP2C19DNMT3B
SCHEMBL4620688 0.96 DNMT1 (0.55) DNMT1PKMKMT2ACYP2C19DNMT3B
SCHEMBL4622574 0.90 DNMT1 (0.57) DNMT1PKMKMT2ACYP2C19DNMT3B
SCHEMBL17525785 0.90 DNMT1 (0.57) DNMT1PKMKMT2ACYP2C19DNMT3B
SCHEMBL16408816 0.90 DNMT1 (0.57) DNMT1PKMKMT2ACYP2C19DNMT3B
SCHEMBL19244073 0.86 DNMT1 (0.73) DNMT1PKMKMT2ACYP2C19DNMT3B
SCHEMBL2443777 0.86 DNMT1 (0.73) DNMT1PKMKMT2ACYP2C19DNMT3B
SCHEMBL3087159 0.85 DNMT1 (0.56) DNMT1PKMKMT2ACYP2C19DNMT3B
SCHEMBL3086724 0.83 DNMT1 (0.59) DNMT1PKMKMT2ACYP2C19DNMT3B
SCHEMBL3079234 0.83 DNMT1 (0.59) DNMT1PKMKMT2ACYP2C19DNMT3B

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
EP-1905763-B1 N-ACYLIC AMINOACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM OF ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS NEBOLSIN VLADIMIR EVGENIEVICH (RU) 2019-05-08 EP disclosed
EP-1905763-A1 N-ACYLIC AMINOACID DERIVATIVES. METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM OF ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS Nebolsin, Vladimir Evgenievich (RU) 2008-04-02 EP disclosed