SCHEMBL4620688

SCHEMBL4620688

CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)CCC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.55
PKM P14618 2/20 0.54
CYP2C19 P33261 2/20 0.54
KMT2A Q03164 2/20 0.54
DNMT3B Q9UBC3 1/20 0.54
PTGS2 P35354 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.49
APAF1 O14727 1/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ACE P12821 1/20 0.49

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 0.96 DNMT1 (0.56) DNMT1PKMCYP2C19KMT2ADNMT3B
SCHEMBL4622387 0.96 DNMT1 (0.56) DNMT1PKMCYP2C19KMT2ADNMT3B
SCHEMBL3087159 0.90 DNMT1 (0.56) DNMT1PKMCYP2C19KMT2ADNMT3B
SCHEMBL16408816 0.85 DNMT1 (0.57) DNMT1PKMCYP2C19KMT2ADNMT3B
SCHEMBL4622574 0.85 DNMT1 (0.57) DNMT1PKMCYP2C19KMT2ADNMT3B
SCHEMBL17525785 0.85 DNMT1 (0.57) DNMT1PKMCYP2C19KMT2ADNMT3B
SCHEMBL1984728 0.84 DNMT1 (0.75) DNMT1PKMCYP2C19KMT2ADNMT3B
SCHEMBL3081901 0.84 DNMT1 (0.75) DNMT1PKMCYP2C19KMT2ADNMT3B
SCHEMBL2445932 0.84 DNMT1 (0.75) DNMT1PKMCYP2C19KMT2ADNMT3B
SCHEMBL3089375 0.82 DNMT1 (0.58) DNMT1PKMCYP2C19KMT2ADNMT3B

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