SCHEMBL28448562

SCHEMBL28448562

Cc1nn(C)c(=O)c(-c2c(F)ccc(Cl)c2CCc2ccc(C(F)(F)F)nc2)c1C(C)(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NR3C1 P04150 3/20 0.34
PPARD Q03181 1/20 0.34
DAO P14920 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
KLKB1 P03952 1/20 0.31
EP300 Q09472 1/20 0.31
GRM2 Q14416 1/20 0.31
PREP P48147 1/20 0.30
HSD17B13 Q7Z5P4 1/20 0.30
PTGES O14684 1/20 0.30
AVPR1B P47901 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
SCHEMBL29263838 0.88 PTGDR2 (0.34) PPARD
SCHEMBL28440898 0.87 CYP1A2 (0.36) CYP2C19
SCHEMBL22031808 0.86 CNR1 (0.39) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL29582055 0.86 CNR1 (0.39) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL22031797 0.83 CYP1A2 (0.33) CYP2C19
SCHEMBL28800350 0.83 CCR3 (0.35) CNR1NR3C1PPARD
SCHEMBL28445791 0.82 CNR1 (0.32) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL22031778 0.82 CNR1 (0.35) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL30424129 0.82 CNR1 (0.35) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL29263851 0.81 SLC22A12 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113271779-B Herbicidal composition 先正达参股股份有限公司 2024-04-26 CN disclosed
CN-111566094-B herbicidal compounds 先正达参股股份有限公司 2023-10-13 CN disclosed
CN-116157016-A Herbicidal composition 先正达农作物保护股份公司 2023-05-23 CN disclosed
CN-113271779-A Herbicidal composition 先正达参股股份有限公司 2021-08-17 CN disclosed
CN-111566094-A Herbicidal compounds 先正达参股股份有限公司 2020-08-21 CN disclosed