SCHEMBL9513587

SCHEMBL9513587

CC(C(=O)O)c1cc[nH]c(=O)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GLRA1 P23415 2/20 0.46
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARG P37231 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NSD2 O96028 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
PPARA Q07869 3/20 0.40
HPGD P15428 1/20 0.40
ROCK2 O75116 1/20 0.38
PTPN1 P18031 1/20 0.38
MAOB P27338 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL28060142 0.78 GLRA1 (0.60) GLRA1ALDH1A1PPARGL3MBTL1LMNA
SCHEMBL28060106 0.78 GLRA1 (0.60) GLRA1ALDH1A1PPARGL3MBTL1LMNA
SCHEMBL28060114 0.78 GLRA1 (0.60) GLRA1ALDH1A1PPARGL3MBTL1LMNA
SCHEMBL10591282 0.76 POLB (0.52) POLBALDH1A1USP2TSHRHSD17B10
SCHEMBL27794250 0.75 PTGER1 (0.48) GLRA1ALDH1A1PPARGL3MBTL1LMNA
SCHEMBL10963748 0.74 POLB (0.50) POLBALDH1A1USP2TSHRHSD17B10
SCHEMBL8682572 0.73 BRD4 (0.51) GLRA1ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL8323310 0.73 BRD4 (0.51) GLRA1ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL10964174 0.72 PTGER4 (0.55) POLBPPARGL3MBTL1NSD2ABL1
SCHEMBL28739338 0.72 GLRA1 (0.47) GLRA1ALDH1A1L3MBTL1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357150-B1 Pharmaceutical compositions BRITISH TECH GROUP (GB) 1993-12-08 EP disclosed
US-5104865-A IRON COMPLEXES OF HYDROXYPYRIDONES USEFUL FOR TREATING IRON OVERLOAD NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-04-14 US disclosed
EP-0138421-B1 HYDROXYPYRIDONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-12-05 EP disclosed
US-4912118-A Therapy for toxic concentration of metal NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-27 US disclosed
EP-0357150-A1 Pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1990-03-07 EP disclosed