SCHEMBL28012020

SCHEMBL28012020

CC1(C2CCCCC2N=C=O)CCCCC1N=C=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP19A1 P11511 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
SCHEMBL2864432 0.74 ALDH1A1 (0.46) ALDH1A1CYP19A1
SCHEMBL728097 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7097978 0.73 ALDH1A1 (0.41) ALDH1A1
SCHEMBL27735249 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL43172 0.69 ALDH1A1 (0.38) ALDH1A1
SCHEMBL27735248 0.68 ALDH1A1 (0.36) ALDH1A1
Cyclohexane SCHEMBL6060871 0.68 ALDH1A1 (0.41) ALDH1A1
SCHEMBL26012 0.67 ALDH1A1 (0.57) ALDH1A1
SCHEMBL5460574 0.67 ALDH1A1 (0.57) ALDH1A1
SCHEMBL9323923 0.67 ALDH1A1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102336888-B Heat-curable polyurethane resin composition and urethane elastomer molded article using the same DAINIPPON INK & CHEMICALS 2015-05-13 CN disclosed