SCHEMBL29979255

SCHEMBL29979255

COc1cc(C)c(C(=O)c2c(OC)cnc(Cl)c2C(F)(F)F)c(OC)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.34
LMNA P02545 7/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 4/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 2/20 0.32
POLB P06746 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FYN P06241 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
SCHEMBL434599 1.00 MAPT (0.34) MAPTLMNAHPGDKDM4ETP53
SCHEMBL29979812 0.92 MAPT (0.36) MAPTLMNAHPGDKDM4ETP53
SCHEMBL433743 0.92 MAPT (0.36) MAPTLMNAHPGDKDM4ETP53
SCHEMBL6249025 0.88 MAPT (0.33) MAPTLMNAHPGDKDM4ETP53
SCHEMBL675856 0.86 PTPN1 (0.35) MAPTLMNAHPGDKDM4ETP53
SCHEMBL4595972 0.84 LMNA (0.35) MAPTLMNAHPGDKDM4EGAA
SCHEMBL6247176 0.84 KMT2A (0.36) MAPTLMNAHPGDCYP3A4KMT2A
SCHEMBL675367 0.83 MAPT (0.37) MAPTLMNAHPGDKDM4ETP53
SCHEMBL675590 0.83 MAPT (0.37) MAPTLMNAHPGDKDM4ETP53
SCHEMBL4595502 0.82 CYP1A2 (0.36) MAPTLMNAHPGDKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115606598-A Fungicidal composition and method for controlling harmful fungi 石原产业株式会社 2023-01-17 CN claimed
CN-115606598-A Fungicidal composition and method for controlling harmful fungi 石原产业株式会社 2023-01-17 CN disclosed
CN-113598173-B Fungicidal composition and method for controlling harmful fungi 石原产业株式会社 2022-11-04 CN disclosed