SCHEMBL28772302

SCHEMBL28772302

CCC(=O)OCc1cccc(-c2ccc(OC(F)(F)F)cc2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ POLB P06746 1/20 0.41
▸ SERPINE1 P05121 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ TPX2 Q9ULW0 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ AR P10275 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ TRPV1 Q8NER1 3/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37

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
SCHEMBL28772224 0.85 MCL1 (0.43) FFAR4FFAR1PTPN5MRGPRX4AR
SCHEMBL27702608 0.82 HNF4A (0.45) FFAR4FFAR1PTPN5HDAC2
SCHEMBL28815442 0.79 PTGS2 (0.38) PTPN5MRGPRX4MCL1
SCHEMBL29551950 0.79 PTGS2 (0.38) PTPN5MRGPRX4MCL1
SCHEMBL27291370 0.76 MTNR1A (0.46) SERPINE1PTPN5PPARGPPARAAKR1C2
SCHEMBL28772101 0.74 AOC3 (0.43) MRGPRX4
SCHEMBL8470711 0.71 MEN1 (0.49) FFAR4FFAR1POLBSERPINE1AURKA
SCHEMBL28815029 0.71 POLB (0.44) POLBPTPN5MRGPRX4MCL1
SCHEMBL8400324 0.70 KMT2A (0.49) FFAR4FFAR1PTGER4CHRM3PPARG
SCHEMBL27667660 0.70 ALDH1A1 (0.53) NLRP3

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-114891070-A Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-08-12 — — CN disclosed
CN-107835818-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 — — CN disclosed
CN-108699052-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 — — CN disclosed
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