SCHEMBL8917660

SCHEMBL8917660

CC1C(C)(C)CC(N=C=O)CC1(C)N=C=O.O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6036723 0.87 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL18154644 0.74 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL9824548 0.74 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL6318341 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL8733246 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL23743495 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL5903114 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL7192102 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL10507329 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL22543 0.73 ALDH1A1 (0.54) 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
US-5654391-A STORAGE STABILITY HERBERTS GMBH (DE) 1997-08-05 US disclosed