SCHEMBL22882004

SCHEMBL22882004

COc1ccc(/C=C/C=C/C(=O)OCCOCCN)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
STAT3 P40763 1/20 0.49
GSK3B P49841 1/20 0.47
MAOB P27338 4/20 0.46
F3 P13726 2/20 0.46
MAOA P21397 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 1/20 0.43

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
Hydrochloric Acid SCHEMBL29992371 0.99 LMNA (0.52) LMNATDP1SMN1; SMN2HDAC8HDAC6
SCHEMBL22882127 0.91 LMNA (0.64) LMNATDP1SMN1; SMN2HDAC8HDAC6
Hydrochloric Acid SCHEMBL28536897 0.90 LMNA (0.62) LMNATDP1SMN1; SMN2HDAC8HDAC6
SCHEMBL22882008 0.87 LMNA (0.58) LMNATDP1SMN1; SMN2HDAC8HDAC6
Hydrochloric Acid SCHEMBL29992806 0.86 LMNA (0.60) LMNATDP1SMN1; SMN2HDAC8HDAC6
SCHEMBL22881928 0.85 LMNA (0.51) LMNATDP1SMN1; SMN2HDAC8HDAC6
SCHEMBL28529970 0.84 AKR1B10 (0.54) LMNATDP1SMN1; SMN2HDAC8HDAC6
Hydrochloric Acid SCHEMBL28546543 0.83 AKR1B10 (0.52) LMNATDP1SMN1; SMN2HDAC8HDAC6
SCHEMBL28812187 0.83 LMNA (0.70) LMNATDP1SMN1; SMN2HDAC8HDAC6
SCHEMBL24090214 0.82 GAA (0.48) LMNATDP1SMN1; SMN2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380727-A1 NOVEL PHOTOCROSSLINKABLE ALGINIC ACID DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2021-12-09 US disclosed
EP-3760647-A1 NOVEL PHOTOCROSSLINKABLE ALGINIC ACID DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2021-01-06 EP disclosed