SCHEMBL6905691

SCHEMBL6905691

NC(=O)NC(CC(=O)O)n1cnc(C[C@H](N)C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ TYR P14679 5/20 0.35
▸ CPB2 Q96IY4 8/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ CPB1 P15086 3/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ ALPI P09923 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ XIAP P98170 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ GRIA3 P42263 1/20 0.32
▸ GRIA4 P48058 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
SCHEMBL28167184 0.80 CYP1A2 (0.39) CYP1A2TYRCPB2HSD17B10SLC1A3
SCHEMBL28440003 0.78 CYP1A2 (0.34) CYP1A2TYRCPB2CPB1SLC1A3
SCHEMBL27634976 0.78 CYP1A2 (0.39) CYP1A2TYRCPB2HSD17B10CPB1
SCHEMBL19750174 0.76 CPB2 (0.46) CYP1A2TYRCPB2CPB1SLC1A3
SCHEMBL358922 0.72 CYP1A2 (0.44) CYP1A2TYRCPB2CPB1SLC1A3
SCHEMBL503556 0.72 CYP1A2 (0.44) CYP1A2TYRCPB2HSD17B10CPB1
SCHEMBL27974517 0.72 CYP1A2 (0.46) CYP1A2TYRCPB2HSD17B10CPB1
Water SCHEMBL1507364 0.71 CYP1A2 (0.43) CYP1A2TYRCPB2HSD17B10CPB1
Hydrochloric Acid SCHEMBL14831326 0.71 CYP1A2 (0.43) CYP1A2TYRCPB2CPB1SLC1A3
Water SCHEMBL3639234 0.71 CYP1A2 (0.43) CYP1A2TYRCPB2HSD17B10CPB1

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-6806362-B2 ADSORPTION, DESORPTION OF TARGETED NUCLEIC ACIDS PROMEGA CORPORATION 2004-10-19 — — US disclosed
US-20010014650-A1 pH dependent ion exchange matrix and method of use in the isolation of nucleic acids PROMEGA CORPORATION (US) 2001-08-16 — — US disclosed
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