SCHEMBL28772330

SCHEMBL28772330

COc1cc(OCC=C(C)C)c2ccc(=O)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 6/20 0.64
CYP3A4 P08684 5/20 0.64
HPGD P15428 4/20 0.64
HSD17B10 Q99714 3/20 0.64
GLA P06280 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MTNR1A P48039 2/20 0.60
MAOB P27338 1/20 0.59
MAPT P10636 4/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 2/20 0.57
CASP1 P29466 2/20 0.57
CASP7 P55210 2/20 0.57
CYP1B1 Q16678 2/20 0.57
LMNA P02545 1/20 0.57
ACHE P22303 1/20 0.57
PDE4D Q08499 1/20 0.55
ALOX15 P16050 6/20 0.54
NDUFS8 O00217 2/20 0.52

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
SCHEMBL28745065 0.90 MAOB (0.70) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
SCHEMBL31135288 0.90 ALOX15 (0.70) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
SCHEMBL1714211 0.90 ALOX15 (0.70) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
SCHEMBL1714204 0.90 ALOX15 (0.70) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
SCHEMBL25269817 0.81 NDUFS8 (0.68) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
Citropten SCHEMBL29425178 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
Citropten SCHEMBL516577 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
SCHEMBL28744737 0.79 ALDH1A1 (0.63) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
SCHEMBL18292782 0.77 NDUFS8 (0.80) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
SCHEMBL29227420 0.76 KDM4E (0.66) ALDH1A1KDM4ECYP3A4HPGDHSD17B10

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-114558061-A Loquat leaf extract and preparation method and application thereof 浙江大学 2022-05-31 CN claimed