SCHEMBL5310547

SCHEMBL5310547

CC[C@@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)NC[C@H](N)CS

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTB P49356 4/20 0.86
▸ FNTA P49354 3/20 0.86
▸ PGGT1B P53609 2/20 0.86
▸ EGFR P00533 1/20 0.85
▸ FYN P06241 1/20 0.85
▸ CHRM2 P08172 1/20 0.85
▸ CYP3A4 P08684 1/20 0.85
▸ ADRA2A P08913 1/20 0.85
▸ CYP2D6 P10635 1/20 0.85
▸ DRD2 P14416 1/20 0.85
▸ ADRA2C P18825 1/20 0.85
▸ TACR2 P21452 1/20 0.85
▸ MC5R P33032 1/20 0.85
▸ DRD3 P35462 1/20 0.85
▸ MC3R P41968 1/20 0.85
▸ ALDH1A1 P00352 1/20 0.85
▸ MAPT P10636 1/20 0.85
▸ SMN1; SMN2 Q16637 1/20 0.85
▸ TDP1 Q9NUW8 1/20 0.85
▸ MME P08473 1/20 0.43

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
SCHEMBL2723220 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL17534944 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL2723214 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL14640162 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL16111867 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL2723216 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL1683561 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL5310552 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL17534946 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN
SCHEMBL16111866 1.00 FNTB (0.86) FNTBFNTAPGGT1BEGFRFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 — — US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 — — WO claimed
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