SCHEMBL6958707

SCHEMBL6958707

CCC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 2/20 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
SCHEMBL20825754 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ADPP4
SCHEMBL15447182 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ADPP4
SCHEMBL685371 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ADPP4
SCHEMBL26478517 0.88 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ADPP4
SCHEMBL12493728 0.86 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ADPP4
SCHEMBL14404904 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL30759407 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL14382174 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL14351217 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL15184308 0.85 ALDH1A1 (0.39) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US claimed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
CN-101460494-A Process for production of 4-substituted azetidinone derivatives KANEGAFUCHI CHEMICAL IND (JP) 2009-06-17 CN disclosed
EP-0974582-B1 Process for the preparation of 4-substituted azetidinone derivatives TAKASAGO PERFUMERY CO LTD (JP) 2003-02-12 EP disclosed
US-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US disclosed
EP-0974582-A1 Process for the preparation of 4-substituted azetidinone derivatives Takasago International Corporation (JP) 2000-01-26 EP disclosed