SCHEMBL11665488

SCHEMBL11665488

C=CCn1c(S)nnc1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 6/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.30
NPC1 O15118 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
SCHEMBL11667889 0.84 KDM4E (0.43) L3MBTL1CYP3A4SMN1; SMN2KDM4EKMT2A
SCHEMBL3263749 0.78 L3MBTL1 (0.47) L3MBTL1CYP3A4SMN1; SMN2KDM4EKMT2A
SCHEMBL11847478 0.77 CYP3A4 (0.37) CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL11668052 0.76 CYP3A4 (0.38) L3MBTL1CYP3A4KDM4EKMT2AMEN1
SCHEMBL11245537 0.75 CYP3A4 (0.46) L3MBTL1CYP3A4KDM4EALDH1A1CYP2D6
SCHEMBL7806190 0.71 CYP3A4 (0.38) CYP3A4
SCHEMBL11665528 0.70 L3MBTL1 (0.34) L3MBTL1CYP3A4SMN1; SMN2KMT2AMEN1
SCHEMBL11314946 0.69 ALDH1A1 (0.33) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL11497388 0.69 CYP3A4 (0.42) CYP3A4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL10013032 0.68 ALDH1A1 (0.55) L3MBTL1CYP3A4SMN1; SMN2KDM4EKMT2A

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-4113944-A DECARBOXYLATION MEIJI SEIKA KAISHA, LTD. (JP) 1978-09-12 US disclosed