SCHEMBL5490998

SCHEMBL5490998

COc1cc(C)c(S(=O)(=O)N(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CCCNC(=N)N)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 5/20 0.35
F2 P00734 1/20 0.32
KMT2A Q03164 1/20 0.31
PLG P00747 1/20 0.31
BMP1 P13497 5/20 0.31
MMP8 P22894 4/20 0.31
FABP5 Q01469 1/20 0.31
MMP1 P03956 2/20 0.30
HTR6 P50406 1/20 0.30
AVPR1A P37288 1/20 0.30

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
SCHEMBL28514278 0.91 AVPR1B (0.39) AVPR1BF2KMT2ABMP1MMP8
SCHEMBL29029482 0.81 KMT2A (0.38) KMT2A
SCHEMBL28516147 0.78 AVPR1B (0.45) AVPR1BF2PLGBMP1MMP8
SCHEMBL28516145 0.78 AVPR1B (0.45) AVPR1BF2PLGBMP1MMP8
SCHEMBL29047048 0.77 KMT2A (0.39) KMT2A
SCHEMBL28514281 0.75 BMP1 (0.37) AVPR1BF2PLGBMP1MMP8
SCHEMBL29400128 0.75 AVPR1B (0.43) AVPR1BF2KMT2AFABP5HTR6
SCHEMBL27719856 0.74 KMT2A (0.39) KMT2ABMP1
SCHEMBL28860152 0.73 AVPR1B (0.39) AVPR1BF2KMT2APLGBMP1
SCHEMBL28860154 0.73 AVPR1B (0.39) AVPR1BF2KMT2APLGBMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858538-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE Biomarck Pharmaceuticals, Ltd. (US) 2007-11-28 EP disclosed
WO-2006078899-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE BIOMARCK PHARMACEUTICALS, LTD. (US) 2006-07-27 WO disclosed