SCHEMBL13433545

SCHEMBL13433545

CCCC(C)(CC)c1ccc(C2(c3ccc(N4C(=O)C5C6C=CC(C5C4=O)C4C(=O)N(C(C)(CC)CCC)C(=O)C64)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
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
SCHEMBL13433547 0.92 ALDH1A1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL13433539 0.82 MEN1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL22580653 0.72 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL13400456 0.71 TP53 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL21215699 0.70 KMT2A (0.35) ALDH1A1MEN1KMT2A
SCHEMBL21064097 0.70 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL23894770 0.69 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL21215977 0.68 KMT2A (0.33) ALDH1A1MEN1KMT2A
SCHEMBL22745899 0.67 PGR (0.36) ALDH1A1MEN1KMT2A
SCHEMBL13078214 0.66 CRHR1 (0.35) ALDH1A1

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-20100079705-A1 SUBSTRATE FOR LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed