SCHEMBL27432649

SCHEMBL27432649

[CH2]C(CCC(C)=O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.35
▸ SLC15A2 Q16348 1/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ PAOX Q6QHF9 2/20 0.31
▸ ACHE P22303 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
SCHEMBL22446850 0.73 CHRNB2 (0.54) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL1412935 0.72 — —
SCHEMBL19546492 0.71 ALDH1A1 (0.41) ALDH1A1LMNASLC15A2CHRM1CHRNB2
SCHEMBL28655640 0.70 — —
SCHEMBL27009155 0.68 ALDH1A1 (0.38) ALDH1A1LMNASLC15A2CHRM1CHRNB2
SCHEMBL23463132 0.67 ALDH1A1 (0.36) ALDH1A1LMNASLC15A2CHRM1CHRNB2
SCHEMBL7541851 0.66 — —
SCHEMBL3790342 0.66 CA1 (0.57) ALDH1A1LMNASLC15A2PAOXACHE
SCHEMBL9720153 0.66 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2CHRM1PAOX
SCHEMBL14860086 0.66 — —

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-1102596-C 5H-thiazole [3,2-a] pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 — — CN disclosed
CN-1206010-A 5H-thiazole [3,2-a] pyrimidine derivatives HOFFMANN LA ROCHE (CH) 1999-01-27 — — CN disclosed
Send feedback