SCHEMBL17090699

SCHEMBL17090699

CCc1ccc(NC(=O)C(CCCCN)NC(=O)COCC(=O)NC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.46
▸ PDF Q9HBH1 1/20 0.44
▸ SSTR3 P32745 1/20 0.42
▸ CALCRL Q16602 1/20 0.41
▸ FURIN P09958 1/20 0.41
▸ PLG P00747 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ HDAC4 P56524 2/20 0.38
▸ MEF2D Q14814 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ SPHK1 Q9NYA1 1/20 0.38
▸ SIRT2 Q8IXJ6 2/20 0.38
▸ SIRT1 Q96EB6 2/20 0.38

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
SCHEMBL23425577 0.83 KLKB1 (0.45) KLKB1PDFSSTR3CALCRLPLG
SCHEMBL17424310 0.81 SPHK1 (0.51) KLKB1PDFSSTR3PLGLTA4H
SCHEMBL27291531 0.78 FURIN (0.49) KLKB1PDFSSTR3CALCRLFURIN
SCHEMBL25100592 0.78 SIRT2 (0.42) KLKB1PDFSSTR3MMP3SIRT2
SCHEMBL25052999 0.77 SIRT2 (0.51) SIRT2SIRT1
SCHEMBL22452312 0.76 SIRT2 (0.44) KLKB1PDFSSTR3CALCRLLTA4H
SCHEMBL26283842 0.76 CPB1 (0.49) KLKB1MMP3SIRT2SIRT1
SCHEMBL16418621 0.76 KLKB1 (0.49) KLKB1PDFSSTR3CALCRLPLG
SCHEMBL16854865 0.75 CALCRL (0.54) SSTR3CALCRLFURINPLGLTA4H
SCHEMBL27291534 0.74 FURIN (0.48) KLKB1PDFSSTR3CALCRLFURIN

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-9138485-B2 Immunoconjugates with an intracellularly-cleavable linkage IMMUNOMEDICS, INC. (US) 2015-09-22 — — US disclosed
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