SCHEMBL31239072

SCHEMBL31239072

[2H][C@@](C)(CC(=O)OCC)OC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ PKM P14618 1/20 0.35

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
SCHEMBL31239210 1.00 L3MBTL1 (0.45) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL25413185 0.91 L3MBTL1 (0.46) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL25410858 0.91 L3MBTL1 (0.46) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL25410861 0.91 L3MBTL1 (0.46) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL31239105 0.86 L3MBTL1 (0.46) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL25409361 0.77 L3MBTL1 (0.48) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL25409364 0.77 L3MBTL1 (0.48) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL31239132 0.76 GAA (0.44) KDM4EHPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL31239124 0.76 GAA (0.44) KDM4EHPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL19814724 0.73 KMT2A (0.46) L3MBTL1KDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118786116-A Herbicidal compounds 先正达农作物保护股份公司 2024-10-15 — — CN disclosed
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