SCHEMBL11697376

SCHEMBL11697376

COC(=O)CCC(=O)ON1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.56
TSHR P16473 4/20 0.48
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
LIPE Q05469 1/20 0.38
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MLYCD O95822 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1194369 0.90 TSHR (0.46) GLATSHRLMNAPOLBALDH1A1
SCHEMBL11452202 0.87 GLA (0.53) GLATSHRLMNAPOLBALDH1A1
SCHEMBL9194004 0.83 GLA (0.48) GLATSHRLMNAPOLBALDH1A1
SCHEMBL465226 0.83 LMNA (0.45) GLATSHRLMNAPOLBALDH1A1
SCHEMBL27723070 0.81 LMNA (0.44) GLATSHRLMNAPOLBALDH1A1
SCHEMBL28864594 0.81 L3MBTL1 (0.42) GLATSHRLMNAPOLBALDH1A1
SCHEMBL2960196 0.81 GLA (0.47) GLATSHRLMNAPOLBALDH1A1
SCHEMBL8526268 0.80 RAB9A (0.46) GLATSHRLMNAPOLBALDH1A1
SCHEMBL2963308 0.79 TSHR (0.46) GLATSHRLMNAPOLBALDH1A1
SCHEMBL28394692 0.78 SMN1; SMN2 (0.44) GLATSHRLMNAPOLBALDH1A1

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-4025550-A Derivatives of triiodo-aminobenzenecarboxylic acids and the preparation thereof CHEMIE LINZ AKTIENGESELLSCHAFT (OE) 1977-05-24 US disclosed