SCHEMBL27977068

SCHEMBL27977068

CC(C)N(C(=O)OCN)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ MLYCD O95822 1/20 0.43
▸ TRPM8 Q7Z2W7 2/20 0.43
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 1/20 0.37

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
SCHEMBL28138500 0.85 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL17735706 0.79 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL11594134 0.77 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2TP53MEN1
SCHEMBL29025475 0.77 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL3324272 0.77 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL15440913 0.76 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL4202113 0.74 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL4701126 0.74 ALDH1A1 (0.65) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL2543696 0.74 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2TP53CHRM2
SCHEMBL5079915 0.74 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2TP53CHRM2

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-103930401-A Pesticidal compounds SYNGENTA PARTICIPATIONS AG 2014-07-16 — — CN disclosed
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