SCHEMBL8168474

SCHEMBL8168474

CC1CC(CN=C=O)CC(N=C=O)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8169016 0.83 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL7043819 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL9418103 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL19215804 0.76 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL5693971 0.74
SCHEMBL374862 0.73
SCHEMBL9562483 0.73
SCHEMBL1578456 0.73 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL4796103 0.73 ALDH1A1 (0.52) ALDH1A1CYP3A4
SCHEMBL7753405 0.72 ALDH1A1 (0.50) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392525-B2 Ink jet recording method FUJIFILM CORPORATION (JP) 2019-08-27 US disclosed
EP-0976723-A2 A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition Daicel Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed