SCHEMBL11680337

SCHEMBL11680337

[CH2]CN(C(=O)CC)C(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
FFAR3 O14843 1/20 0.35
SOAT1 P35610 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL9074136 0.75 ALDH1A1 (0.39) ALDH1A1TDP1FFAR3SOAT1TSHR
SCHEMBL12450552 0.75 LMNA (0.39) ALDH1A1TDP1FFAR3SOAT1TSHR
SCHEMBL293933 0.74
SCHEMBL3640053 0.72
SCHEMBL3029060 0.72
SCHEMBL24315414 0.70 TDP1 (0.36) ALDH1A1TDP1FFAR3LMNA
SCHEMBL24865143 0.70 SOAT1 (0.35) ALDH1A1TDP1FFAR3SOAT1LMNA
SCHEMBL5137791 0.69 CES2 (0.48) ALDH1A1TDP1TSHR
SCHEMBL295140 0.69
SCHEMBL16683559 0.69 CHRM1 (0.43) ALDH1A1TDP1FFAR3SOAT1LMNA

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
US-4065254-A DIAZO DYES, LEATHER, COTTON, WOOL CIBA-GEIGY CORPORATION (US) 1977-12-27 US claimed