SCHEMBL30452406

SCHEMBL30452406

O=C(OCc1ccc(COC(=O)c2ccco2)o1)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 4/20 0.54
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
POLB P06746 1/20 0.47
MAPK10 P53779 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL179961 0.88 ALDH1A1 (0.64) ALDH1A1HPGDNPSR1KMT2ATSHR
SCHEMBL7863830 0.82 KMT2A (0.61) ALDH1A1HPGDNPSR1KMT2ATSHR
SCHEMBL11039202 0.80 ALDH1A1 (0.62) ALDH1A1HPGDKMT2ATSHRLMNA
SCHEMBL27770727 0.78 KMT2A (0.60) ALDH1A1HPGDKMT2ATSHRLMNA
SCHEMBL790857 0.78 KMT2A (0.60) ALDH1A1HPGDKMT2ATSHRLMNA
SCHEMBL4688815 0.78 KMT2A (0.60) ALDH1A1HPGDKMT2ATSHRLMNA
SCHEMBL2353041 0.78 LMNA (0.53) ALDH1A1HPGDNPSR1KMT2ATSHR
SCHEMBL6830855 0.77 KMT2A (0.58) ALDH1A1HPGDKMT2ATSHRLMNA
SCHEMBL6129940 0.77 KMT2A (0.58) ALDH1A1HPGDKMT2ATSHRLMNA
SCHEMBL6983963 0.77 KMT2A (0.58) ALDH1A1HPGDKMT2ATSHRLMNA

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-20230203379-A1 PROCEDURE FOR OBTAINING FLEXIBLE EXPANDABLE MATERIAL (FEM) RESISTANT TO COMBUSTION USING BIOPLASTIFICIZERS SUBOTIC, NEMANJA, MR. (RS) 2023-06-29 US disclosed