SCHEMBL5907643

SCHEMBL5907643

CCCC(C)NC(=O)CC(C)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.38
FAAH O00519 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5907682 0.88 TAS1R3 (0.45) POLBKMT2AFAAHMEN1MAPK1
SCHEMBL5907648 0.83 MMP1 (0.47) KMT2ASMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL8848209 0.80 POLB (0.55) POLBKMT2ALMNATHRBSMN1; SMN2
SCHEMBL16298854 0.80 POLB (0.55) POLBKMT2ALMNATHRBSMN1; SMN2
SCHEMBL13416265 0.80 POLB (0.55) POLBKMT2ALMNATHRBSMN1; SMN2
SCHEMBL8847485 0.80 POLB (0.55) POLBKMT2ALMNATHRBSMN1; SMN2
SCHEMBL23179962 0.80 POLB (0.51) POLBKMT2ALMNATHRBSMN1; SMN2
SCHEMBL5907667 0.80 POLB (0.42) POLBKMT2ALMNAALDH1A1TAS1R3
SCHEMBL5141993 0.78 POLB (0.53) POLBKMT2ALMNATHRBSMN1; SMN2
SCHEMBL5143891 0.78 POLB (0.53) POLBKMT2ALMNATHRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060046286-A1 Method for preparing optically active beta-butyrolactones TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-02 US disclosed