SCHEMBL27779653

SCHEMBL27779653

CCOCCC(C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.36
THRB P10828 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 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
SCHEMBL18951853 0.80 ALDH1A1 (0.46) TSHRALDH1A1THRBCA1
SCHEMBL566391 0.80 GABRR1 (0.48) TSHRALDH1A1THRBNOS3NOS1
SCHEMBL10638508 0.80 ALDH1A1 (0.41) TSHRALDH1A1ALOX15THRBCHRNB2
SCHEMBL30401063 0.79 MEN1 (0.44) TSHRALDH1A1THRBCHRNB2CHRNB4
SCHEMBL30103441 0.79 CA2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4CA2
SCHEMBL29672786 0.77
SCHEMBL310765 0.77
SCHEMBL29219064 0.77 ALDH1A1 (0.48) TSHRALDH1A1THRBNOS3NOS1
SCHEMBL28943090 0.77 TSHR (0.47) TSHRALDH1A1THRBCHRNB2CHRNB4
SCHEMBL27481944 0.77 ALDH1A1 (0.39) TSHRALDH1A1THRB

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-100513386-C Amides for inhibiting interleukin 8-induced chemotaxis of neutrophils DOMP S P A (IT) 2009-07-15 CN disclosed