SCHEMBL28573102

SCHEMBL28573102

CCOc1cc(C=C2CC(=O)CCO2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.50
PDE3A Q14432 3/20 0.50
DYRK1A Q13627 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
IGF1R P08069 2/20 0.47
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
PLIN1 O60240 1/20 0.45
MAPK1 P28482 1/20 0.45
PLIN5 Q00G26 1/20 0.45
ABHD5 Q8WTS1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
AMY1A P0DUB6 1/20 0.44
STK17B O94768 1/20 0.41
PDE4A P27815 4/20 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
SCHEMBL28573101 1.00 PDE4B (0.50) PDE4BPDE3ADYRK1AMEN1KMT2A
SCHEMBL28571661 0.95 IGF1R (0.53) PDE4BPDE3ADYRK1AMEN1KMT2A
SCHEMBL28571664 0.95 IGF1R (0.53) PDE4BPDE3ADYRK1AMEN1KMT2A
SCHEMBL28915135 0.81 MIF (0.49) MEN1KMT2AMAPTLMNAGAA
SCHEMBL28915136 0.81 MIF (0.49) MEN1KMT2AMAPTLMNAGAA
SCHEMBL28588030 0.81 KMT2A (0.58) DYRK1AMEN1KMT2AMAPTLMNA
SCHEMBL28588029 0.81 KMT2A (0.58) DYRK1AMEN1KMT2AMAPTLMNA
SCHEMBL29857296 0.76 MAPT (0.78) PDE4BPDE3ADYRK1AMEN1KMT2A
SCHEMBL625104 0.75 DYRK1A (0.60) DYRK1AKMT2AMAPTLMNAGAA
SCHEMBL28587111 0.74 EGFR (0.50) DYRK1AMEN1KMT2AMAPTMAPK1

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-112972441-B Application of monocarbonyl curcumin compound in preparation of medicine for preventing and treating periodontitis 温州医科大学附属口腔医院 2022-08-23 CN disclosed
CN-112972441-A Application of monocarbonyl curcumin compound in preparation of medicine for preventing and treating periodontitis 温州医科大学附属口腔医院 2021-06-18 CN disclosed