SCHEMBL28629173

SCHEMBL28629173

CC(=O)c1ccc(C2Oc3cc(C(C)=O)ccc3CC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.39
HSD17B1 P14061 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PGR P06401 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
DRD2 P14416 1/20 0.32

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
SCHEMBL28625919 0.91 HSD17B1 (0.46) MAPTNPC1RAB9AKDM4EHSD17B1
SCHEMBL2399209 0.77 CA2 (0.45) MAPTKDM4EPOLBALDH1A1LMNA
SCHEMBL1071070 0.77 ESR2 (0.51) MAPTKDM4EHSD17B1AKR1B1ALDH1A1
SCHEMBL28912178 0.75 CA2 (0.43) MAPTKDM4EPOLBALDH1A1LMNA
Acetic Acid SCHEMBL11666716 0.72 KMT2A (0.43) MAPTKDM4EPOLBALDH1A1HSD17B10
SCHEMBL28710319 0.72 CYP19A1 (0.53) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL28635976 0.70 KDM4E (0.32) MAPTRAB9AKDM4EALDH1A1LMNA
SCHEMBL1091431 0.70 TDP1 (0.58) MAPTNPC1RAB9AKDM4EHSD17B1
SCHEMBL10360806 0.69 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2
SCHEMBL10360964 0.69 MAOB (0.49) AKR1B1ALDH1A1CA2

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-112661738-B Flavanone compound and preparation method and application thereof 南方医科大学 2023-01-10 CN disclosed
CN-112661738-A Flavanone compound and preparation method and application thereof 南方医科大学 2021-04-16 CN disclosed