SCHEMBL18613113

SCHEMBL18613113

CC(C)(C)OC(=O)NCCC(=O)NC1CCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 10/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ ALDH1A1 P00352 3/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ HTT P42858 1/20 0.58
▸ TSHR P16473 1/20 0.56

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
SCHEMBL24209194 1.00 DHODH (0.66) DHODHL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5969916 0.87 EPHX2 (0.51) DHODHL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL29551628 0.85 HTT (0.59) ALDH1A1MEN1KMT2AHTT
SCHEMBL5714269 0.85 HTT (0.59) ALDH1A1MEN1KMT2AHTT
SCHEMBL18761357 0.85 HTT (0.59) ALDH1A1MEN1KMT2AHTT
SCHEMBL24804264 0.83 EPHX2 (0.60) DHODHL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL2463602 0.82 TAOK1 (0.55) ALDH1A1
SCHEMBL26999632 0.80 EPHX1 (0.57) ALDH1A1MEN1KMT2AHTT
SCHEMBL2406505 0.79 ALDH1A1 (0.76) DHODHL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1565743 0.79 ALDH1A1 (0.76) DHODHL3MBTL1ALDH1A1MEN1KMT2A

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
WO-2017037022-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING HEMATOLOGICAL CANCERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-09 — — WO disclosed
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