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Sugi Predict / Compounds / SCHEMBL10036690

SCHEMBL10036690

SCHEMBL10036690

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

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50

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
SCHEMBL47877 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL16979565 0.95 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL19057011 0.88 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL20437582 0.88 ALDH1A1 (0.43) ALDH1A1CYP3A4
SCHEMBL53382 0.87 ALDH1A1 (0.64) ALDH1A1CYP3A4
SCHEMBL12700243 0.84 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL10036698 0.82 — —
SCHEMBL21300083 0.82 — —
SCHEMBL19784235 0.82 — —
SCHEMBL19222383 0.82 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8727135-B2 Composite filtration membranes and methods of preparation thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-05-20 — — US disclosed
US-20120048798-A1 COMPOSITE FILTRATION MEMBRANES AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-01 — — US disclosed