SCHEMBL8301912

SCHEMBL8301912

C#CCC(NC(C)=O)(C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
MMP8 P22894 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
SCHEMBL9978380 0.78 PKM (0.35) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL3665720 0.73 PKM (0.45) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL16571690 0.70 PKM (0.42) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL3402649 0.67 PKM (0.36) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL9747384 0.66 TSHR (0.36) ALDH1A1MAPT
SCHEMBL3047206 0.66
SCHEMBL7333555 0.65 PKM (0.35) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL7421934 0.65 PKM (0.35) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL7295778 0.65 PKM (0.35) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL7304285 0.65 PKM (0.35) PKMKDM4ETHRBHTTALDH1A1

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-0900224-A1 PROPAGYLGLYCINE DERIVATIVES, PREPARATION AND UTILISATION THEREOF AS SYNTHESIS INTERMEDIATES SYNTHELABO (FR) 1999-03-10 EP disclosed
WO-1997040052-A1 PROPAGYLGLYCINE DERIVATIVES, PREPARATION AND UTILISATION THEREOF AS SYNTHESIS INTERMEDIATES SYNTHELABO (FR) 1997-10-30 WO disclosed