SCHEMBL6665840

SCHEMBL6665840

C=C(C#N)C(=O)O.CCCCC=C(C#N)C(=O)OOCCOC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
EP300 Q09472 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
SCHEMBL5560693 0.90 CYP2C9 (0.32) ALDH1A1
SCHEMBL7167573 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5561382 0.82 CYP2C9 (0.33) ALDH1A1
SCHEMBL29372087 0.81 CYP2C9 (0.34) ALDH1A1TSHREP300
SCHEMBL1973242 0.79 EP300 (0.40) ALDH1A1TSHREP300
SCHEMBL7165557 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29026257 0.77 TSHR (0.42) ALDH1A1TSHREP300
SCHEMBL22129641 0.77 EP300 (0.41) ALDH1A1TSHREP300
SCHEMBL5561659 0.77 CYP2C9 (0.35) ALDH1A1
SCHEMBL20261959 0.77 CYP2C9 (0.38) ALDH1A1TSHREP300

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-2004024467-A2 SURFACE-MOUNTING SYSTEM LOCTITE (R & D) LIMITED (IE) 2004-03-25 WO claimed