SCHEMBL2401241

SCHEMBL2401241

[CH2]C(CC(C)C=O)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.41
CTSS P25774 4/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL13349548 0.83 CTSK (0.50) CTSKCA1CA2CA7CYP2D6
SCHEMBL10800638 0.83 CA1 (0.54) CTSKCA1CA2CA7CYP2D6
SCHEMBL3499718 0.83 CA1 (0.54) CTSKCA1CA2CA7CYP2D6
SCHEMBL13263255 0.82 CTSK (0.60) CTSKCA1CA2CA7CYP2D6
SCHEMBL27918413 0.79 CTSK (0.49) CTSKCA1CA2CA7CTSS
SCHEMBL28718312 0.78 CTSK (0.46) CTSKCA1CA2CA7CYP2D6
SCHEMBL7302316 0.76 CA1 (0.46) CTSKCA1CA2CA7CYP2D6
SCHEMBL11018592 0.76 CA1 (0.46) CTSKCA1CA2CA7CYP2D6
SCHEMBL5571613 0.75 CTSK (0.51) CTSKCA1CA2CA7CYP2D6
SCHEMBL19617925 0.75 CA1 (0.49) CTSKCA1CA2CA7CYP2D6

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
EP-2539389-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2013-01-02 EP claimed
WO-2011106548-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2011-09-01 WO claimed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP claimed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 WO claimed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP disclosed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed