SCHEMBL22898007

SCHEMBL22898007

Cc1ccc(COCC2CC2)c(NC(=O)CCl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 4/20 0.41
▸ PKM P14618 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL22897662 0.83 ALDH1A1 (0.56) HTTALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL22897876 0.81 ALDH1A1 (0.54) HTTALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL22898009 0.81 LMNA (0.33) ALDH1A1GAATSHRMAPK1MAPT
SCHEMBL18579587 0.80 SMN1; SMN2 (0.59) HTTALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL22897913 0.80 ALDH1A1 (0.52) HTTALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL22897748 0.80 ALDH1A1 (0.52) HTTALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL28678268 0.80 SMN1; SMN2 (0.52) HTTALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL22897508 0.79 ALDH1A1 (0.51) HTTALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL22897841 0.79 ALDH1A1 (0.51) HTTALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL22897843 0.79 ALDH1A1 (0.51) HTTALDH1A1SMN1; SMN2NPC1PKM

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
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