Sugi Predict

Sugi Predict / Compounds / SCHEMBL6135727

SCHEMBL6135727

SCHEMBL6135727

CCCCCCCCC/C=C/C(=O)NC1CC[C@@H](C2C(=O)NCCC[C@@H]2NC(=O)OCCCCCCCCCC)NC(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 7/20 0.40
▸ CCR2 P41597 5/20 0.36
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CXCR4 P61073 1/20 0.32

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
SCHEMBL5699577 0.82 CCR2 (0.49) NAAACCR2GAAMAPK1HTT
SCHEMBL1114839 0.82 EPHX1 (0.38) CCR2
SCHEMBL1114631 0.82 CCR2 (0.47) NAAACCR2ALDH1A1
SCHEMBL5699622 0.78 CCR2 (0.52) NAAACCR2CCR1CCR5CXCR4
SCHEMBL1114657 0.78 CCR2 (0.52) NAAACCR2CCR1CCR5CXCR4
SCHEMBL1114788 0.78 CCR2 (0.52) NAAACCR2CCR1CCR5CXCR4
SCHEMBL5699632 0.78 CCR2 (0.52) NAAACCR2CCR1CCR5CXCR4
SCHEMBL5699650 0.77 EPHX1 (0.41) CCR2
SCHEMBL1115018 0.77 CCR2 (0.43) CCR2ALDH1A1CCR1CCR5CXCR4
SCHEMBL1114780 0.73 NAAA (0.55) NAAACCR2GAAMAPK1HTT

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-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 — — WO claimed