SCHEMBL9173199

SCHEMBL9173199

C#CC(=O)CCC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
LMNA P02545 4/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.41
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3630572 0.79 CYP2D6 (0.32) LMNAHSD17B10MAPT
Dimethyl Succinate SCHEMBL28054469 0.79 TSHR (1.00) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL10213 0.79 TSHR (1.00) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL7056732 0.76 TSHR (0.62) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL3099156 0.76 TSHR (0.62) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL31389405 0.76 TSHR (0.93) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL16798755 0.76 TSHR (0.93) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL29824778 0.76 TSHR (0.93) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL28294757 0.76 TSHR (0.93) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL7778900 0.76 TSHR (0.93) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385833-A Enzymatic synthesis of alcohols from carbonyl compounds THE SCRIPPS RESEARCH INSTITUTE (US) 1995-01-31 US disclosed