SCHEMBL16418621

SCHEMBL16418621

COCc1ccc(NC(=O)C(CCCCN)NC(=O)CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.49
▸ LTA4H P09960 1/20 0.47
▸ PDF Q9HBH1 1/20 0.45
▸ SSTR3 P32745 1/20 0.44
▸ CALCRL Q16602 1/20 0.43
▸ PLG P00747 1/20 0.42
▸ SIRT2 Q8IXJ6 7/20 0.42
▸ SIRT1 Q96EB6 6/20 0.42
▸ LNPEP Q9UIQ6 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 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
SCHEMBL21726052 0.89 CA1 (0.51) KLKB1LTA4HPDFSSTR3PLG
SCHEMBL24774255 0.87 LTA4H (0.49) KLKB1LTA4HPDFSSTR3PLG
SCHEMBL24774073 0.83 KLKB1 (0.44) KLKB1LTA4HPDFSSTR3CALCRL
SCHEMBL15810600 0.82 KLKB1 (0.43) KLKB1LTA4HPDFSSTR3PLG
SCHEMBL16645118 0.81 FURIN (0.47) KLKB1LTA4HPDFSSTR3CALCRL
SCHEMBL13411054 0.80 SSTR3 (0.60) LTA4HSSTR3CALCRLMMP3HDAC8
SCHEMBL17067271 0.79 KLKB1 (0.47) KLKB1LTA4HPDFSSTR3CALCRL
SCHEMBL16479322 0.78 SSTR3 (0.53) LTA4HSSTR3CALCRLSIRT2SIRT1
SCHEMBL23425577 0.76 KLKB1 (0.45) KLKB1LTA4HPDFSSTR3CALCRL
SCHEMBL16946450 0.76 FURIN (0.42) KLKB1LTA4HPDFSSTR3CALCRL

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
WO-2015012904-A2 ANTIBODY-SN-38 IMMUNOCONJUGATES WITH A CL2A LINKER IMMUNOMEDICS, INC. (US) 2015-01-29 — — WO disclosed
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