Sugi Predict

Sugi Predict / Compounds / SCHEMBL8911908

SCHEMBL8911908

SCHEMBL8911908

N#Cc1ccc(NC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1.O=C(O)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 15/20 0.58
▸ FOLH1 Q04609 1/20 0.51
▸ FPR1 P21462 4/20 0.51
▸ CTNNB1 P35222 1/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.49

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
SCHEMBL8216682 0.99 FPR2 (0.59) FPR2FOLH1FPR1NAALAD2
SCHEMBL8214230 0.90 FPR2 (0.66) FPR2FOLH1NAALAD2
Potassium Ion SCHEMBL8205521 0.90 FPR2 (0.49) FPR2FPR1CTNNB1
SCHEMBL8214118 0.89 CA12 (0.58) FPR2FPR1
SCHEMBL8214162 0.81 FPR2 (0.58) FPR2FOLH1FPR1NAALAD2
SCHEMBL27182520 0.81 PIN1 (0.53) FPR2FPR1
SCHEMBL6373349 0.81 FPR2 (0.60) FPR2
SCHEMBL27182755 0.81 HSD17B10 (0.53) FPR2FPR1
SCHEMBL6021330 0.80 CTSS (0.64) FPR2FPR1
SCHEMBL6381444 0.80 FPR2 (0.81) FPR2FOLH1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631038-A COMPOUNDS (TASTANDS) TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE ARE ADDED TO FOODS CONTAINING SODIUM CHLORIDE BIORESEARCH, INC. (US) 1997-05-20 — — US claimed
EP-0661932-A4 SPECIFIC EATABLE TASTE MODIFIERS. BIORESEARCH INC (US) 1996-06-05 — — EP claimed
EP-0661932-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1995-07-12 — — EP claimed
WO-1993010677-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1993-06-10 — — WO claimed