SCHEMBL28915136

SCHEMBL28915136

COc1ccc(C=C2CC(=O)CCO2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.49
MAOB P27338 1/20 0.49
EGFR P00533 1/20 0.49
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
AOX1 Q06278 1/20 0.49
POLB P06746 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL28915135 1.00 MIF (0.49) MIFMAOBEGFRMAPTMEN1
SCHEMBL28588030 0.90 KMT2A (0.58) MIFMAOBMAPTMEN1KMT2A
SCHEMBL28588029 0.90 KMT2A (0.58) MIFMAOBMAPTMEN1KMT2A
SCHEMBL28573101 0.81 PDE4B (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL28571661 0.81 IGF1R (0.53) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL28571664 0.81 IGF1R (0.53) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL28573102 0.81 PDE4B (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL625104 0.78 DYRK1A (0.60) MAOBEGFRMAPTKMT2AALDH1A1
SCHEMBL625103 0.78 DYRK1A (0.60) MAOBEGFRMAPTKMT2AALDH1A1
SCHEMBL28587111 0.76 EGFR (0.50) MAOBEGFRMAPTMEN1KMT2A

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