SCHEMBL22882008

SCHEMBL22882008

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 2/20 0.55
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
STAT3 P40763 1/20 0.51
GSK3B P49841 1/20 0.49
MAOB P27338 4/20 0.48
F3 P13726 2/20 0.48
MAOA P21397 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
THRB P10828 1/20 0.47
ATM Q13315 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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 SCHEMBL29992806 0.99 LMNA (0.60) LMNASMN1; SMN2TDP1HDAC8HDAC6
SCHEMBL22881956 0.91 LMNA (0.70) LMNASMN1; SMN2TDP1HDAC8HDAC6
Hydrochloric Acid SCHEMBL28541253 0.89 LMNA (0.72) LMNASMN1; SMN2TDP1HDAC8HDAC6
SCHEMBL22882004 0.87 LMNA (0.53) LMNASMN1; SMN2TDP1HDAC8HDAC6
Hydrochloric Acid SCHEMBL29992371 0.86 LMNA (0.52) LMNASMN1; SMN2TDP1HDAC8HDAC6
SCHEMBL12687083 0.85 LMNA (0.67) LMNASMN1; SMN2TDP1GSK3BF3
SCHEMBL22881938 0.85 LMNA (0.56) LMNASMN1; SMN2TDP1HDAC8HDAC6
SCHEMBL26698971 0.84 HDAC8 (0.45) LMNASMN1; SMN2TDP1HDAC8HDAC6
SCHEMBL22881958 0.83 AKR1B10 (0.52) LMNATDP1HDAC8HDAC6MAOB
Hydrochloric Acid SCHEMBL28537991 0.82 AKR1B10 (0.51) LMNATDP1HDAC8HDAC6MAOB

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
CN-111918881-B Novel photocrosslinkable alginic acid derivative 持田制药株式会社 2022-08-12 CN disclosed
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
CN-111918881-A Novel photocrosslinkable alginic acid derivative 持田制药株式会社 2020-11-10 CN disclosed