SCHEMBL8102665

SCHEMBL8102665

COC(=O)Cn1cccc(O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ERAP2 Q6P179 3/20 0.49
IL1RN P18510 2/20 0.49
ERAP1 Q9NZ08 2/20 0.49
EGLN1 Q9GZT9 2/20 0.47
VEGFA P15692 1/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL10715060 0.94 ERAP2 (0.48) KDM4ESMN1; SMN2ERAP2IL1RNERAP1
SCHEMBL10715057 0.90 ERAP2 (0.46) KDM4ESMN1; SMN2ERAP2IL1RNERAP1
SCHEMBL5180011 0.84 ALDH1A1 (0.51) KDM4EERAP2IL1RNERAP1EGLN1
SCHEMBL9609770 0.83 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL29255151 0.82 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL22114505 0.82 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL8649103 0.82 ELANE (0.51) KDM4ESMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL13036960 0.81 EGLN1 (0.51) KDM4ESMN1; SMN2ERAP2IL1RNERAP1
Hydrochloric Acid SCHEMBL20944983 0.81 ELANE (0.50) KDM4ESMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL8102285 0.80 ERAP2 (0.54) ERAP2IL1RNERAP1EGLN1VEGFA

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 6 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
US-RE35948-E TREATING TOXIC METAL CONCENTRATION BY ADMINISTERING N-SUBSTITUTED 3-HYDROXYPYRID-2-ONE OR 3-HYDROXYPYRID-4-ONE BRITISH TECHNOLOGY GROUP LTD. (GB) 1998-11-03 US disclosed
EP-0305646-A2 3-Hydroxypyrid-4-ones and pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1989-03-08 EP disclosed
EP-0120670-B1 IRON III COMPLEXES OF HYDROXYPYRIDONES, AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-12-21 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