SCHEMBL22898009

SCHEMBL22898009

Cc1ccc(COCC2CC2)c(NCCCl)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ PTGIR P43119 3/20 0.31
▸ GAA P10253 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22898007 0.81 HTT (0.50) MAPTALDH1A1PTGIRGAATSHR
SCHEMBL22897936 0.78 ALDH1A1 (0.36) LMNAMAPTALDH1A1ACHEGAA
SCHEMBL22897939 0.75 GUCY1A1 (0.32) LMNAMAPTALDH1A1
SCHEMBL22897901 0.73 TDP1 (0.38) ALDH1A1DRD2DRD4PTGIRTDP1
SCHEMBL22898026 0.68 TSHR (0.46) LMNAMAPTALDH1A1GAATSHR
SCHEMBL18898604 0.65 MAPT (0.39) LMNAMAPTALDH1A1ACHEGAA
SCHEMBL1949296 0.65 SMN1; SMN2 (0.56) MAPTALDH1A1ACHEMAPK1
SCHEMBL22897662 0.62 ALDH1A1 (0.56) LMNAMAPTALDH1A1GAATSHR
SCHEMBL29559583 0.61 ALDH1A1 (0.40) MAPTALDH1A1DRD2DRD4PTGIR
SCHEMBL22897876 0.60 ALDH1A1 (0.54) LMNAMAPTALDH1A1GAATSHR

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
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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