SCHEMBL28815029

SCHEMBL28815029

CCC(=O)OCc1cccc(-c2ccc(C(F)(F)F)cn2)c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ MRGPRX4 Q96LA9 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PTPN5 P54829 1/20 0.34
▸ NOTCH1 P46531 1/20 0.34
▸ NOTCH3 Q9UM47 1/20 0.34

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 0.82 MCL1 (0.43) KDM4EKMT2AMEN1MCL1MRGPRX4
SCHEMBL29551950 0.79 PTGS2 (0.38) MCL1MRGPRX4PTPN5
SCHEMBL28815442 0.79 PTGS2 (0.38) MCL1MRGPRX4PTPN5
SCHEMBL27702608 0.72 HNF4A (0.45) KDM4EL3MBTL1KMT2ASMN1; SMN2HPGD
SCHEMBL28772302 0.71 FFAR4 (0.46) POLBMCL1MRGPRX4PTPN5
SCHEMBL5835011 0.71 KMT2A (0.41) KDM4EKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL27667660 0.68 ALDH1A1 (0.53) GAAKDM4EKMT2AHPGDNPC1
SCHEMBL27703325 0.68 ALDH1A1 (0.46) GAAKDM4EL3MBTL1MCL1MRGPRX4
SCHEMBL28815219 0.68 AOC3 (0.39) —
SCHEMBL4577937 0.67 ALDH1A1 (0.44) GAAKDM4EL3MBTL1HPGDMAPK1

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-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
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