SCHEMBL28587111

SCHEMBL28587111

COc1cccc(/C=C2\CC(=O)CCO2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.50
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIM1 P11309 1/20 0.47
AKR1B1 P15121 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45

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
SCHEMBL28587113 1.00 EGFR (0.50) EGFRMAPTMEN1KMT2ANPC1
SCHEMBL625104 0.83 DYRK1A (0.60) EGFRMAPTKMT2ANPC1RAB9A
SCHEMBL625103 0.83 DYRK1A (0.60) EGFRMAPTKMT2ANPC1RAB9A
SCHEMBL28575414 0.78 ALDH1A1 (0.56) MAPTKMT2APKML3MBTL1PIM1
SCHEMBL28575415 0.78 ALDH1A1 (0.56) MAPTKMT2APKML3MBTL1PIM1
SCHEMBL28588029 0.76 KMT2A (0.58) MAPTMEN1KMT2ARAB9APKM
SCHEMBL28915135 0.76 MIF (0.49) EGFRMAPTMEN1KMT2ANPC1
SCHEMBL28588030 0.76 KMT2A (0.58) MAPTMEN1KMT2ARAB9APKM
SCHEMBL28915136 0.76 MIF (0.49) EGFRMAPTMEN1KMT2ANPC1
SCHEMBL28571661 0.74 IGF1R (0.53) MAPTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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