SCHEMBL5699574

SCHEMBL5699574

CCCCCCCCCCCCCCS(=O)(=O)N[C@H]1CCC(C2C(=O)NCCC[C@@H]2NS(=O)(=O)CCCCCCCCCCCC)NC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.33
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CXCR4 P61073 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
LYPLA1 O75608 1/20 0.30

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
SCHEMBL5699571 1.00 CCR2 (0.33) CCR2CCR1CCR5CXCR4HDAC8
SCHEMBL1114567 1.00 CCR2 (0.33) CCR2CCR1CCR5CXCR4HDAC8
SCHEMBL1114805 1.00 CCR2 (0.33) CCR2CCR1CCR5CXCR4HDAC8
SCHEMBL1114885 0.87 CCR2 (0.37) CCR2CCR1CCR5CXCR4
SCHEMBL10476331 0.83 CCR2 (0.44) CCR2CCR1CCR5CXCR4LYPLA1
SCHEMBL1114595 0.80 PSEN1 (0.38) CCR2CCR1CCR5CXCR4HDAC8
SCHEMBL1114447 0.80 PSEN1 (0.38) CCR2CCR1CCR5CXCR4HDAC8
SCHEMBL1114579 0.80 PSEN1 (0.38) CCR2CCR1CCR5CXCR4HDAC8
SCHEMBL1114533 0.80 PSEN1 (0.38) CCR2CCR1CCR5CXCR4HDAC8
SCHEMBL1114763 0.80 PSEN1 (0.38) CCR2CCR1CCR5CXCR4HDAC8

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
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP claimed