SCHEMBL6446818

SCHEMBL6446818

CC(C)(C)OC(=O)N1CCCCCC1N1CCCC(N(C(=O)c2ccc(Cl)cc2Cl)c2cc(-c3ccccc3)sc2C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ USP30 Q70CQ3 4/20 0.38
▸ UCHL1 P09936 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RXRA P19793 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ACKR3 P25106 1/20 0.33
▸ AHCY P23526 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ OPRK1 P41145 1/20 0.33

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
SCHEMBL6429324 0.87 MEN1 (0.49) MEN1KMT2AUSP30UCHL1MAPT
SCHEMBL2158008 0.86 MEN1 (0.52) MEN1KMT2AUSP30NPSR1GPR119
SCHEMBL6431276 0.84 ACKR3 (0.43) MEN1KMT2AUSP30UCHL1ALDH1A1
SCHEMBL3808918 0.83 MEN1 (0.37) MEN1KMT2AUSP30UCHL1ALDH1A1
SCHEMBL6426599 0.83 USP30 (0.47) MEN1KMT2AUSP30MAPTACKR3
SCHEMBL2158431 0.82 ALDH1A1 (0.44) ALDH1A1LMNATSHR
SCHEMBL6446820 0.82 MEN1 (0.35) MEN1KMT2AUSP30UCHL1ALDH1A1
SCHEMBL2157741 0.81 ALDH1A1 (0.42) ALDH1A1LMNATSHR
SCHEMBL3814854 0.81 MEN1 (0.39) MEN1KMT2AUSP30RXRANR1H2
SCHEMBL3811287 0.80 MEN1 (0.34) MEN1KMT2AUSP30UCHL1ALDH1A1

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-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 — — US claimed
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