SCHEMBL8108765

SCHEMBL8108765

CCCNC(=O)CCn1ccc(=O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
TYR P14679 1/20 0.43
DOHH Q9BU89 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.38
TRPV1 Q8NER1 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL10924548 0.78 TYR (0.50) MAOBTYRDOHHKDM4E
SCHEMBL6348803 0.76 TYR (0.55) MAOBTYRDOHHKDM4EKMT2A
SCHEMBL9453872 0.76 TYR (0.50) MAOBTYRDOHHKDM4EPOLB
SCHEMBL16088174 0.74 NPC1 (0.47) MAOBTYRDOHHKDM4EPOLB
SCHEMBL8102697 0.74 MAOB (0.51) MAOBDOHHKDM4EKMT2AMEN1
SCHEMBL30983057 0.73 NPC1 (0.49) TYRDOHHKDM4EPOLBMAPT
SCHEMBL30982965 0.73 NPC1 (0.49) TYRDOHHKDM4EPOLBMAPT
SCHEMBL30982680 0.73 NPC1 (0.49) TYRDOHHKDM4EPOLBMAPT
SCHEMBL5517575 0.70 KDM4E (0.53) MAOBTYRDOHHKDM4EKMT2A
SCHEMBL9704932 0.69 TYR (0.51) MAOBTYRDOHHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36831-E TREATMENT OF IRON DEFICIENCY ANEMIA BRITISH TECHNOLOGY GROUP LTD. (GB) 2000-08-22 US disclosed
EP-0305646-B1 3-Hydroxypyrid-4-ones and pharmaceutical compositions BRITISH TECH GROUP (GB) 1996-11-13 EP disclosed
EP-0305646-A2 3-Hydroxypyrid-4-ones and pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1989-03-08 EP disclosed
US-4650793-A NITROGEN-SUBSTITUTED NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-03-17 US disclosed
US-4585780-A CHELATION OF HEAVY METALS IN BLOOD NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-04-29 US disclosed
EP-0120669-A2 Hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed
EP-0120670-A1 Iron III complexes of hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed