SCHEMBL29875200

SCHEMBL29875200

CC(C)=CCOc1cc(O)c(C(=O)C(C)C)c(O)c1CC1=C(O)C(C)(C)C(=O)C(C(=O)C(C)C)=C1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 5/20 0.39
▸ ALOX5 P09917 3/20 0.37
▸ PTGES O14684 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ACHE P22303 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SOAT2 O75908 1/20 0.30
▸ SOAT1 P35610 1/20 0.30

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
SCHEMBL29928966 0.79 FASN (0.48) FASNALOX5PTGESKDM4EACHE
SCHEMBL29377594 0.73 FASN (0.46) FASNALOX5PTGES
SCHEMBL30450843 0.71 SLC6A2 (0.42) FASNALOX5KDM4ECYP3A4ALDH1A1
SCHEMBL30212097 0.69 FASN (0.59) FASNCYP3A4MAPK1
SCHEMBL30212080 0.68 FASN (0.66) FASNALOX5PTGESMAPT
Uliginosin B SCHEMBL20301647 0.68 FASN (0.41) FASNALOX5PTGESKDM4ECYP3A4
SCHEMBL29387296 0.67 FASN (0.59) FASNALOX5PTGESFFAR1
SCHEMBL29378400 0.67 FASN (0.46) FASNALOX5PTGESMAPK1MAPT
SCHEMBL30212085 0.66 FASN (0.66) FASNALOX5PTGES
SCHEMBL3483215 0.66 PTGES (0.37) FASNALOX5PTGESKDM4ESOAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118963357-A Dynamic path planning method for bin robot entering and exiting warehouse 重庆首亨软件股份有限公司 2024-11-15 — — CN claimed
CN-115099115-B Indoor substation ventilation noise reduction deep reinforcement learning design method 国网江西省电力有限公司电力科学研究院 2022-12-30 — — CN disclosed
CN-115099115-A Indoor substation ventilation noise reduction deep reinforcement learning design method 国网江西省电力有限公司电力科学研究院 2022-09-23 — — CN disclosed
CN-113806333-B Space-time big data time period information modeling, storing and retrieving method based on two-dimensional grid 河南大学 2022-08-30 — — CN disclosed
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