SCHEMBL9115701

SCHEMBL9115701

CCC=C(C(=O)O)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.52
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGDS O60760 1/20 0.46
GSK3B P49841 1/20 0.46
HDAC1 Q13547 1/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 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
SCHEMBL9709882 0.81 DAO (0.59) DAOERCC5FEN1ALDH1A1NPC1
SCHEMBL9709878 0.81 DAO (0.59) DAOERCC5FEN1ALDH1A1NPC1
SCHEMBL10914699 0.76 DAO (0.57) DAOERCC5FEN1ALDH1A1NPC1
SCHEMBL28911298 0.76 DAO (0.57) DAOERCC5FEN1ALDH1A1NPC1
SCHEMBL10914702 0.76 DAO (0.57) DAOERCC5FEN1ALDH1A1NPC1
SCHEMBL14605006 0.76 NPC1 (0.48) DAOALDH1A1NPC1RAB9AMEN1
SCHEMBL8635237 0.75 DAO (0.52) DAOERCC5FEN1ALDH1A1NPC1
Propionaldehyde SCHEMBL7337468 0.74 HPGDS (0.53) DAOALDH1A1NPC1RAB9AMEN1
SCHEMBL14288480 0.74 HPGDS (0.49) DAOALDH1A1NPC1RAB9AMEN1
SCHEMBL348321 0.73 AKR1C1 (0.53) DAOERCC5FEN1ALDH1A1MEN1

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
CN-110357916-A Packaging film compound and combinations thereof and film and organic luminescent device and packaging method 吉林奥来德光电材料股份有限公司 2019-10-22 CN disclosed
US-5424164-A Image forming method FUJI PHOTO FILM CO., LTD (JP) 1995-06-13 US disclosed