SCHEMBL3893593

SCHEMBL3893593

N=C(N)NCCC[C@@H](C=O)NC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.41
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PADI6 Q6TGC4 1/20 0.41
▸ PADI1 Q9ULC6 1/20 0.41
▸ PADI3 Q9ULW8 1/20 0.41
▸ PADI4 Q9UM07 1/20 0.41
▸ PADI2 Q9Y2J8 1/20 0.41
▸ F10 P00742 3/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL242718 0.88 CTSK (0.37) CAPN1F10PRSS1HDAC1HDAC2
Hydrochloric Acid SCHEMBL11143298 0.85 CTSL (0.50) CTSKCTSLCTSB
SCHEMBL188589 0.82 C3AR1 (0.52) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL10946109 0.82 PADI1 (0.60) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL7925397 0.82 C3AR1 (0.52) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL188590 0.82 C3AR1 (0.52) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL158990 0.82 PADI1 (0.60) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL27863347 0.81 HTT (0.40) CAPN1HPGDHDAC1HDAC2HDAC8
SCHEMBL24736900 0.80 CTSC (0.45) CTSKCTSLCTSBCTSH
SCHEMBL7264476 0.80 CTSK (0.53) CTSKCTSLCTSBCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069522-B1 ENZYME CONTAINING LIQUID AND DELIVERY SYSTEM FOR DETECTION OF ANALYTES ON SURFACES AGENTASE LLC (US) 2015-05-27 — — EP claimed
EP-2069522-A2 ENZYME CONTAINING LIQUID AND DELIVERY SYSTEM FOR DETECTION OF ANALYTES ON SURFACES Agentase, LLC (US) 2009-06-17 — — EP claimed
WO-2008076153-A2 ENZYME CONTAINING LIQUID AND DELIVERY SYSTEM FOR DETECTION OF ANALYTES ON SURFACES AGENTASE, LLC (US) 2008-06-26 — — WO claimed
EP-2069522-B1 ENZYME CONTAINING LIQUID AND DELIVERY SYSTEM FOR DETECTION OF ANALYTES ON SURFACES AGENTASE LLC (US) 2015-05-27 — — EP disclosed
EP-0162877-B1 METHOD TO TITRATE ENZYMES FLORK, Michel Louis André (FR) 1988-05-04 — — EP disclosed
EP-0162877-A1 Method to titrate enzymes. FLORK MICHEL (FR) 1985-12-04 — — EP disclosed
WO-1985002404-A1 NEW PEPTIDE DERIVATIVES, PREPARATION PROCESS THEREOF AND UTILIZATION THEREOF AS BIOLOGICAL REAGENTS FLORK MICHEL 1985-06-06 — — WO disclosed
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