SCHEMBL10845166

SCHEMBL10845166

Nn1ncnc1CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
HDAC6 Q9UBN7 2/20 0.37
MAPT P10636 1/20 0.36
KEAP1 Q14145 1/20 0.35
MAPK1 P28482 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
LMNA P02545 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
FFAR1 O14842 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13010099 0.81 GABRA5 (0.35) HSD17B10MAPTMAPK1P4HTM
SCHEMBL5859618 0.70 ESR1 (0.38) HDAC6MAPTKEAP1P4HTMLMNA
SCHEMBL7389761 0.67 MAPK1 (0.46) HSD17B10MAPTKEAP1MAPK1FFAR1
SCHEMBL9554664 0.64 SMN1; SMN2 (0.39) HDAC6MAPTKEAP1P4HTMLMNA
SCHEMBL2505046 0.63 FFAR1 (0.37) KEAP1P4HTMEGLN3FFAR1NPSR1
SCHEMBL693477 0.63 FNTA (0.47) HDAC6MAPK1EGLN3L3MBTL1
SCHEMBL22775905 0.63 FFAR1 (0.37) KEAP1P4HTMFFAR1NPSR1L3MBTL1
Bromide SCHEMBL28813244 0.62 FNTA (0.46) HDAC6MAPK1LMNAL3MBTL1
SCHEMBL17866361 0.61 KEAP1 (0.41) HSD17B10HDAC6KEAP1P4HTMEGLN3
SCHEMBL2113281 0.60 FFAR1 (0.53) KEAP1P4HTMLMNAFFAR1NPSR1

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-4616081-A ANTIBIOTIC, BACTERICIDE WITH GOOD ABSORTION AND STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-10-07 US disclosed
EP-0098609-A2 Novel cephalosporin compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-01-18 EP disclosed