SCHEMBL25520482

SCHEMBL25520482

CC(C)C/C=C/C(=O)NC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.46
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.33
CNR2 P34972 4/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
CNR1 P21554 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL13024375 0.80 CHRNB2 (0.66) ALDH1A1GAACHRNB2CHRNB4CHRNA3
SCHEMBL29105555 0.80 ALDH1A1 (0.56) ALDH1A1GAATSHRCHRNB2CHRNB4
SCHEMBL20093402 0.80 ALDH1A1 (0.56) ALDH1A1GAATSHRCHRNB2CHRNB4
SCHEMBL11996872 0.80 ALDH1A1 (0.56) ALDH1A1GAATSHRCHRNB2CHRNB4
SCHEMBL10257086 0.79 ALDH1A1 (0.50) ALDH1A1GAATSHRCHRNB2CHRNB4
SCHEMBL21967996 0.78 ALDH1A1 (0.54) ALDH1A1GAATSHRCHRNB2CHRNB4
SCHEMBL25762048 0.78 ALDH1A1 (0.54) ALDH1A1GAATSHRCHRNB2CHRNB4
SCHEMBL21207488 0.78 ALDH1A1 (0.54) ALDH1A1GAATSHRCHRNB2CHRNB4
SCHEMBL27419370 0.78 ALDH1A1 (0.54) ALDH1A1GAATSHRCHRNB2CHRNB4
SCHEMBL25762062 0.78 ALDH1A1 (0.54) ALDH1A1GAATSHRCHRNB2CHRNB4

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-2023086979-A1 STAGGERED TRIPLE LIPID-MODIFIED NUCLEIC ACID COMPOUNDS DTX PHARMA, INC. (US) 2023-05-19 WO disclosed