SCHEMBL4806957

SCHEMBL4806957

COC(=O)CCC(=O)CN(C=O)C=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24892650 0.81 TSHR (0.43) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL19759003 0.77 TSHR (0.59) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL10481290 0.75 TSHR (0.81) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL25187 0.75 TSHR (0.81) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL20708303 0.73 TSHR (0.54) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL10481289 0.73 TSHR (0.77) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL28054469 0.72 TSHR (1.00) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL10213 0.72 TSHR (1.00) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL4737443 0.71 TSHR (0.56) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL6560703 0.71 TSHR (0.72) TSHRLMNAKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5907058-A Synthesis of an acid addition salt of delta-aminolevulinic acid from 5-bromo levulinic acid esters MIDWEST RESEARCH INSTITUTE (US) 1999-05-25 US claimed
US-7339073-B2 Method for obtaining 5-halogenolaevulinic acid alkyl esters ALDENKORTT SVEN 2008-03-04 US disclosed
US-7319164-B2 5-azido-laevulinic acid, method for the production thereof and its use ALDENKORTT SVEN 2008-01-15 US disclosed
US-20060086443-A1 5-azido-laevulinic acid, method for the production thereof and its use ALDENKORTT SVEN 2006-04-27 US disclosed
US-20050070727-A1 Method for obtaining 5-halogenolaevulinic acid alkyl esters ALDENKORTT DR SVEN (DE) 2005-03-31 US disclosed
US-5907058-A Synthesis of an acid addition salt of delta-aminolevulinic acid from 5-bromo levulinic acid esters MIDWEST RESEARCH INSTITUTE (US) 1999-05-25 US disclosed