SCHEMBL8492399

SCHEMBL8492399

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.51
▸ DPP8 Q6V1X1 2/20 0.51
▸ DPP9 Q86TI2 2/20 0.51
▸ DPP7 Q9UHL4 2/20 0.51
▸ MME P08473 2/20 0.47
▸ FAP Q12884 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.43
▸ FPR2 P25090 1/20 0.41
▸ ECE1 P42892 2/20 0.41
▸ ACE P12821 1/20 0.41
▸ NOD1 Q9Y239 5/20 0.40
▸ GRIK1 P39086 1/20 0.38
▸ SLC1A3 P43003 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ GRIK2 Q13002 1/20 0.38
▸ GNPAT O15228 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ AKR1A1 P14550 1/20 0.38
▸ CHRM3 P20309 1/20 0.38

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
SCHEMBL29476460 0.90 DPP8 (0.60) DPP4DPP8DPP9DPP7MME
SCHEMBL29678354 0.88 MME (0.46) DPP4DPP8DPP9DPP7MME
SCHEMBL29716687 0.86 DPP4 (0.46) DPP4DPP8DPP9DPP7MME
SCHEMBL8680601 0.85 NOD1 (0.51) DPP4DPP8DPP7MMEFPR2
SCHEMBL8680597 0.85 NOD1 (0.51) DPP4DPP8DPP7MMEFPR2
SCHEMBL6678282 0.84 DPP8 (0.55) DPP4DPP8DPP9DPP7MME
SCHEMBL8616850 0.84 DPP8 (0.55) DPP4DPP8DPP9DPP7MME
SCHEMBL156084 0.84 FOLH1 (0.56) DPP4DPP8DPP9DPP7FAP
SCHEMBL9622060 0.84 FOLH1 (0.56) DPP4DPP8DPP9DPP7FAP
SCHEMBL10379815 0.84 FOLH1 (0.56) DPP4DPP8DPP9DPP7FAP

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 5 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
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
WO-1995009867-A1 ANTIFUNGAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-04-13 — — WO disclosed
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