SCHEMBL4623529

SCHEMBL4623529

CCOC(=O)[C@H](Cc1c[nH]cn1)N1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 3/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TP53 P04637 1/20 0.31
LMNA P02545 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
NR1H2 P55055 1/20 0.31
MAPT P10636 1/20 0.31
BCL2L2 Q92843 1/20 0.31
BAD Q92934 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4623022 0.95 TSHR (0.38) ALDH1A1PKMTSHRHSD17B10TP53
SCHEMBL3085673 0.89 ALDH1A1 (0.36) ALDH1A1PKMKMT2ARAB9A
SCHEMBL4622374 0.84 ALDH1A1 (0.35) ALDH1A1PKM
SCHEMBL17525712 0.84 ALDH1A1 (0.35) ALDH1A1PKM
SCHEMBL3085221 0.83 ALDH1A1 (0.52) ALDH1A1PKMTSHRKMT2AHIF1A
SCHEMBL3083996 0.81 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL3072878 0.81 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL6996873 0.80 ALDH1A1 (0.37) ALDH1A1PKM
SCHEMBL2443510 0.79 ALDH1A1 (0.48) ALDH1A1PKMTSHRKMT2AHIF1A
SCHEMBL17525717 0.79 ALDH1A1 (0.48) ALDH1A1PKMTSHRKMT2AHIF1A

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