SCHEMBL8525065

SCHEMBL8525065

CCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.45
▸ MME P08473 1/20 0.42
▸ NOD1 Q9Y239 6/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ GRIK1 P39086 1/20 0.40
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ GRIK2 Q13002 1/20 0.40
▸ GNPAT O15228 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ PDCD1LG2 Q9BQ51 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL30799612 0.88 GNPAT (0.47) MMENOD1DPP4DPP8DPP9
SCHEMBL10509030 0.88 GNPAT (0.47) MMENOD1DPP4DPP8DPP9
SCHEMBL30829071 0.88 GNPAT (0.47) MMENOD1DPP4DPP8DPP9
SCHEMBL10453787 0.88 GNPAT (0.47) MMENOD1DPP4DPP8DPP9
SCHEMBL2854257 0.86 DPP8 (0.51) MMENOD1DPP4DPP8DPP9
SCHEMBL8495663 0.86 DPP8 (0.51) MMENOD1DPP4DPP8DPP9
SCHEMBL8495657 0.85 DPP4 (0.54) MMENOD1DPP4DPP8DPP9
SCHEMBL5970326 0.85 KMT2A (0.50) ECE1NOD1DPP4DPP8DPP9
SCHEMBL5970329 0.85 KMT2A (0.50) ECE1NOD1DPP4DPP8DPP9
SCHEMBL15461 0.84 ECE1 (0.56) ECE1PDCD1LG2CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863937-A PEPTIDE CONJUGATED COMPOUND AS FUNGICIDES, BACTERICIDES, MICROBIOCIDES TREATING CANDIDA ALBICANS INFECTION BTG INTERNATIONAL LIMITED (GB) 1999-01-26 — — US claimed
EP-0722456-A1 ANTIFUNGAL COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1996-07-24 — — EP claimed
WO-1995009867-A1 ANTIFUNGAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-04-13 — — WO claimed
US-5863937-A PEPTIDE CONJUGATED COMPOUND AS FUNGICIDES, BACTERICIDES, MICROBIOCIDES TREATING CANDIDA ALBICANS INFECTION BTG INTERNATIONAL LIMITED (GB) 1999-01-26 — — US disclosed
US-5863937-A PEPTIDE CONJUGATED COMPOUND AS FUNGICIDES, BACTERICIDES, MICROBIOCIDES TREATING CANDIDA ALBICANS INFECTION BTG INTERNATIONAL LIMITED (GB) 1999-01-26 — — US disclosed
EP-0722456-A1 ANTIFUNGAL COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1996-07-24 — — EP disclosed
EP-0722456-A1 ANTIFUNGAL COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1996-07-24 — — EP disclosed
WO-1995009867-A1 ANTIFUNGAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-04-13 — — WO disclosed
WO-1995009867-A1 ANTIFUNGAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-04-13 — — WO disclosed
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