SCHEMBL22897984

SCHEMBL22897984

Cc1ccc(COCc2cccc(F)c2)c(NC(=O)CCl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ RAB9A P51151 2/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAOB P27338 4/20 0.39
▸ MAOA P21397 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AR P10275 1/20 0.38

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
SCHEMBL29559187 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTKDM4EGAA
SCHEMBL22897989 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTKDM4EGAA
SCHEMBL22897841 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTKDM4EGAA
SCHEMBL22897796 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTKDM4EGAA
SCHEMBL29559145 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTKDM4EGAA
SCHEMBL29559565 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTGAARAB9A
SCHEMBL22897881 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTGAARAB9A
SCHEMBL29559718 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTKDM4ERAB9A
SCHEMBL22897797 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTKDM4ERAB9A
SCHEMBL28678317 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTKDM4EGAA

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-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 — — CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO disclosed
Send feedback