SCHEMBL6685776

SCHEMBL6685776

C=CCN(CC=C)C(=C)OC(=C)N(CC=C)CC=C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL822281 0.71 ALDH1A1 (0.44) ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL2540205 0.69 ALDH1A1 (0.48) ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL8098659 0.69 ALDH1A1 (0.48) ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL10972334 0.69 ALDH1A1 (0.42) ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL611476 0.69 ALDH1A1 (0.42) ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL822282 0.69 ALDH1A1 (0.42) ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL11498930 0.69 ALDH1A1 (0.42) ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL2489450 0.69 ALDH1A1 (0.38) ALDH1A1
SCHEMBL11032796 0.67 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL21700032 0.67 ALDH1A1 (0.33) ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004024671-A1 METHOD FOR THE PRODUCTION OF DIALKYL AMINO ETHERS SASOL GERMANY GMBH (DE) 2004-03-25 WO claimed
WO-2004024671-A1 METHOD FOR THE PRODUCTION OF DIALKYL AMINO ETHERS SASOL GERMANY GMBH (DE) 2004-03-25 WO disclosed
EP-0130828-B1 PHOTOSENSITIVE RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 1988-08-24 EP disclosed
US-4606993-A SAPONIFIED POLYVINYL ACETATE, ACRYLIC MONOMER, ACRYLIC COPOLYMER TORAY INDUSTRIES INCORPORATED (JP) 1986-08-19 US disclosed
EP-0130828-A2 Photosensitive resin composition TORAY INDUSTRIES, INC. (JP) 1985-01-09 EP disclosed