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SCHEMBL12700243

SCHEMBL12700243

CC1(C)CC(C#N)CC(C)(Cn2c(=O)n(CC3(C)CC(N=C=O)CC(C)(C)C3)c(=O)n(CC3(C)CC(N=C=O)CC(C)(C)C3)c2=O)C1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL53382 0.91 ALDH1A1 (0.64) ALDH1A1CYP3A4
SCHEMBL12548410 0.87 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL19222383 0.86 ALDH1A1 (0.58) ALDH1A1CYP3A4
SCHEMBL14198784 0.85 ALDH1A1 (0.57) ALDH1A1CYP3A4
SCHEMBL16377115 0.85 ALDH1A1 (0.57) ALDH1A1CYP3A4
SCHEMBL18657063 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4
SCHEMBL12087420 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4
SCHEMBL47877 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL10036690 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL21226269 0.84 ALDH1A1 (0.58) 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-20120245320-A1 Method of production of cast polyamides RHEIN CHEMIE RHEINAU GMBH (DE) 2012-09-27 — — US disclosed