SCHEMBL12486355

SCHEMBL12486355

O=C(O)C=C1c2ccccc2-c2cccc(C(=O)O)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.50
HNF4A P41235 1/20 0.47
MYC P01106 1/20 0.46
POLB P06746 2/20 0.45
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39

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
SCHEMBL15477079 1.00 ALDH1A1 (0.59) ALDH1A1LMNAMAPTL3MBTL1HNF4A
SCHEMBL31278212 0.79 ALDH1A1 (0.74) ALDH1A1LMNAMAPTL3MBTL1HNF4A
SCHEMBL3616574 0.79 ALDH1A1 (0.74) ALDH1A1LMNAMAPTL3MBTL1HNF4A
SCHEMBL130160 0.79 TRPA1 (0.44) TRPA1
Hydrochloric Acid SCHEMBL2402126 0.77 ALDH1A1 (0.71) ALDH1A1LMNAMAPTL3MBTL1HNF4A
Hydrochloric Acid SCHEMBL15366836 0.77 ALDH1A1 (0.71) ALDH1A1LMNAMAPTL3MBTL1HNF4A
SCHEMBL69716 0.77 ALDH1A1 (0.69) ALDH1A1LMNAMAPTL3MBTL1HNF4A
SCHEMBL2780740 0.76 PDK2 (0.39) ALDH1A1LMNAMAPTMEN1GAA
SCHEMBL581124 0.74 ALDH1A1 (1.00) ALDH1A1LMNAMAPTL3MBTL1POLB
SCHEMBL5089936 0.74 ALDH1A1 (0.66) ALDH1A1LMNAMAPTL3MBTL1HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790484-B2 Silica encapsulated biomaterials REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-10-17 US disclosed
CN-103917098-A Silica encapsulated biomaterials UNIV MINNESOTA 2014-07-09 CN disclosed
US-20140051144-A1 SILICA ENCAPSULATED BIOMATERIALS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-02-20 US disclosed
WO-2012116013-A2 SILICA ENCAPSULATED BIOMATERIALS WACKETT LAWRENCE P (US) 2012-08-30 WO disclosed