SCHEMBL9254529

SCHEMBL9254529

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nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
TRPA1 O75762 3/20 0.38
THRB P10828 1/20 0.36
GAPDH P04406 2/20 0.36
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.30
DDAH1 O94760 1/20 0.30
MAPT P10636 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
SCHEMBL9261863 1.00 LMNA (0.63) LMNATRPA1THRBGAPDHALDH1A1
SCHEMBL4293299 0.89 LMNA (0.71) LMNATHRBALDH1A1MAPK1
SCHEMBL20536806 0.89 LMNA (0.50) LMNATRPA1GAPDH
SCHEMBL20536819 0.89 LMNA (0.50) LMNATRPA1GAPDH
Crotonaldehyde SCHEMBL4184630 0.88 LMNA (0.55) LMNATRPA1THRBGAPDHALDH1A1
Butane SCHEMBL2557609 0.84 LMNA (0.63) LMNATHRB
Acetaldehyde SCHEMBL212729 0.83 LMNA (0.71) LMNATHRBALDH1A1TSHRMAPK1
SCHEMBL9518993 0.83
SCHEMBL466249 0.83 LMNA (0.48) LMNATRPA1ALDH1A1TSHR
Acrolein SCHEMBL157907 0.82 LMNA (0.60) LMNATRPA1THRBALDH1A1TSHR

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
US-5382732-A 2,5-bis(1,1-dialkoxy-2-propyl)-2,5-dihydrofurans, the preparation thereof and the use thereof for the preparation of carotenoids BASF AKTIENGESELLSCHAFT (DE) 1995-01-17 US disclosed
US-5300658-A 2,5-bis(1,1-dialkoxy-2-propyl)-2,5-dihydrofurans, the preparation thereof and the use thereof for the preparation of carotenoids BASF AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed