SCHEMBL13747280

SCHEMBL13747280

Cc1ccc(C(=O)C(OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.53
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ FKBP1A P62942 4/20 0.46
▸ PREP P48147 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ KLK5 Q9Y337 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CTRB1 P17538 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL12159691 0.92 KLK7 (0.52) KLK7MEN1KMT2AFKBP1APREP
SCHEMBL13747276 0.89 KMT2A (0.49) KLK7MEN1KMT2ALMNANPSR1
SCHEMBL13748014 0.86 LMNA (0.52) KLK7MEN1KMT2ALMNANPSR1
SCHEMBL5970730 0.82 KLK7 (0.66) KLK7MEN1KMT2AFKBP1APREP
SCHEMBL159104 0.82 KLK7 (0.66) KLK7MEN1KMT2AFKBP1APREP
SCHEMBL159105 0.82 KLK7 (0.66) KLK7MEN1KMT2AFKBP1APREP
SCHEMBL22673801 0.82 MEN1 (0.53) KLK7MEN1KMT2ALMNANPSR1
SCHEMBL692266 0.81 KMT2A (0.48) KLK7MEN1KMT2AFKBP1ALMNA
SCHEMBL692265 0.81 KMT2A (0.48) KLK7MEN1KMT2AFKBP1ALMNA
SCHEMBL7333717 0.81 KLK7 (0.58) KLK7MEN1KMT2AFKBP1APREP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO disclosed
WO-2009102318-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
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