SCHEMBL11071480

SCHEMBL11071480

N#CCC[CH]CCCCC#N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.34
HIF1A Q16665 4/20 0.32
EPAS1 Q99814 4/20 0.32
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
CYP3A4 P08684 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
SCHEMBL29154624 0.92 ALDH1A1 (0.46) ALDH1A1TSHRTDP1MAPTLOX
SCHEMBL8670723 0.92 TSHR (0.41) ALDH1A1TSHRTDP1MAPTHIF1A
SCHEMBL6470309 0.85 TSHR (0.45) ALDH1A1TSHRTDP1MAPTLOX
SCHEMBL4521386 0.85
SCHEMBL10522978 0.82 TSHR (0.52) ALDH1A1TSHRTDP1
SCHEMBL28275786 0.79
SCHEMBL10486650 0.79
SCHEMBL14110162 0.75 TSHR (0.56) TSHRCYP3A4
SCHEMBL30678315 0.74
SCHEMBL59340 0.74

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-4478848-A Combating fungi with substituted anilinomethylene-oximes BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
EP-0072970-A1 Substituted anilinomethylene oximes, method for their preparation and their use as herbicides BAYER AG (DE) 1983-03-02 EP disclosed