SCHEMBL28908587

SCHEMBL28908587

C=CC(=O)Oc1c(N)ccc(OC)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4D Q08499 1/20 0.41
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BCHE P06276 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXRA P19793 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL28530588 0.86 APP (0.45) PTPN1PTGER4PTGER3PTGER2NPC1
SCHEMBL27997996 0.80 HDAC8 (0.48) NPC1RAB9AHPGDSMN1; SMN2HDAC8
SCHEMBL28208251 0.78 HDAC8 (0.49) NPC1RAB9AHPGDSMN1; SMN2PDE4D
SCHEMBL3275499 0.77 RXRA (0.49) PTPN1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL28414248 0.77 HDAC8 (0.48) NPC1RAB9AHPGDSMN1; SMN2PDE4D
SCHEMBL7293001 0.73 BCHE (0.58) BCHE
SCHEMBL4603320 0.73 MAPT (0.43) PTPN1PTGER4PTGER3PTGER2NPC1
SCHEMBL4602183 0.72 EGFR (0.47) PTGER4PTGER3PTGER2NPC1MEN1
SCHEMBL6026935 0.72 NPC1 (0.51) PTGER4PTGER3PTGER2NPC1RXRA
SCHEMBL4886587 0.72 BCHE (0.42) BCHE

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-111808031-B Ferulic acid derivative and preparation method and application thereof 湖南中医药大学 2022-01-14 CN disclosed
CN-111808031-A Ferulic acid derivative and preparation method and application thereof 湖南中医药大学 2020-10-23 CN disclosed