SCHEMBL3808918

SCHEMBL3808918

CC(C)(C)OC(=O)ON1CCCC(N(C(=O)c2ccc(Cl)cc2Cl)c2cc(-c3ccccc3)sc2C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP30 Q70CQ3 2/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ NPY1R P25929 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL3814854 0.97 MEN1 (0.39) MEN1KMT2AUSP30NPY1RGPR119
SCHEMBL3811287 0.94 MEN1 (0.34) MEN1KMT2AUSP30UCHL1NPY1R
SCHEMBL3814662 0.93 MEN1 (0.37) MEN1KMT2AUSP30NPY1RGPR119
SCHEMBL6429324 0.88 MEN1 (0.49) MEN1KMT2AUSP30UCHL1GPR119
SCHEMBL2158008 0.86 MEN1 (0.52) MEN1KMT2AUSP30GPR119
SCHEMBL6431276 0.85 ACKR3 (0.43) MEN1KMT2AUSP30UCHL1ALDH1A1
SCHEMBL6446820 0.84 MEN1 (0.35) MEN1KMT2AUSP30UCHL1NPY1R
SCHEMBL6426599 0.83 USP30 (0.47) MEN1KMT2AUSP30GPR119
SCHEMBL6446818 0.83 MEN1 (0.38) MEN1KMT2AUSP30UCHL1ALDH1A1
SCHEMBL2157741 0.83 ALDH1A1 (0.42) 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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
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