SCHEMBL13839169

SCHEMBL13839169

COC(=O)C1(OCc2ccc(OC)cc2)CC(OC(C)=O)C(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 1/20 0.33
▸ CD22 P20273 5/20 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
SCHEMBL13839155 0.89 TNF (0.35) CD22
SCHEMBL13839174 0.81 CD22 (0.34) CD22
SCHEMBL31695023 0.80 LMNA (0.34) CD22
SCHEMBL14403193 0.72 CASP3 (0.31) —
SCHEMBL31502359 0.71 CD22 (0.33) CD22
SCHEMBL31502414 0.71 CD22 (0.39) CD22
SCHEMBL30481196 0.70 LMNA (0.34) —
SCHEMBL17300143 0.70 NANP (0.37) —
SCHEMBL30481194 0.70 LMNA (0.31) —
SCHEMBL29727714 0.70 NANP (0.31) —

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-7527934-B2 Labeled substrate conjugates for identifying enzyme inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-05 — — US disclosed
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