SCHEMBL10587709

SCHEMBL10587709

CC1(C)CC(C)(CN=C=O)CC(C=O)(N=C=O)C1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL2221398 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4
SCHEMBL301576 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4
SCHEMBL5569364 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL27540672 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL27616901 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL5616651 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL20421233 0.74 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL28786176 0.74 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL374602 0.74 ALDH1A1 (0.53) ALDH1A1CYP3A4
SCHEMBL11381813 0.73 ALDH1A1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313932-A2 Curing agent for synthetic resins, curable compositions containing the same and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-03 EP disclosed