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SCHEMBL2829263

SCHEMBL2829263

CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)c(OCCCCC3CO3)c(C(C)(C)CC(C)(C)C)c2)cc(C(C)(C)CC(C)(C)C)c1OCCCCC1CO1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL2829811 0.96 MEN1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL2833487 0.93 MEN1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL2832776 0.92 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL2832942 0.90 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL2836571 0.89 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL2829825 0.88 MEN1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL2834148 0.88 CYP3A4 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL2832715 0.87 TP53 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL2835781 0.85 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL2832764 0.85 MEN1 (0.37) ALDH1A1MEN1KMT2A

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-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 — — US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 — — EP disclosed