SCHEMBL28544953

SCHEMBL28544953

C=C(C)C(=O)OC1OCC1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GPX4 P36969 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL17209107 0.80 ALDH1A1 (0.39) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL15196180 0.80 ALDH1A1 (0.39) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL18503096 0.79 ALDH1A1 (0.41) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL16488176 0.79 ALDH1A1 (0.41) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL803271 0.79 ALDH1A1 (0.41) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL17127373 0.79 ALDH1A1 (0.41) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL9912672 0.79 ALDH1A1 (0.41) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL10233896 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1POLBMAPT
SCHEMBL3060954 0.77 ALDH1A1 (0.44) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL246035 0.77 ALDH1A1 (0.46) ALDH1A1GPX4KDM4ENPC1POLB

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-112585227-B Antimicrobial polymer coating composition and antimicrobial polymer film 株式会社LG化学 2022-09-09 CN disclosed
CN-112585227-A Antimicrobial polymer coating composition and antimicrobial polymer film 株式会社LG化学 2021-03-30 CN disclosed