SCHEMBL9513063

SCHEMBL9513063

O=C(Cn1cccc(O)c1=O)NCCCCCCCCNC(=O)Cn1cccc(O)c1=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.64
IL1RN P18510 2/20 0.64
ERAP1 Q9NZ08 2/20 0.64
KDM4E B2RXH2 2/20 0.45
EGLN1 Q9GZT9 2/20 0.44
VEGFA P15692 1/20 0.44
ALOX5 P09917 1/20 0.43
MAPT P10636 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL9511617 1.00 ERAP2 (0.64) ERAP2IL1RNERAP1KDM4EEGLN1
SCHEMBL8102437 0.90 ERAP2 (0.60) ERAP2IL1RNERAP1KDM4EMAPT
SCHEMBL10966257 0.87 ERAP2 (0.63) ERAP2IL1RNERAP1KDM4EEGLN1
SCHEMBL8100239 0.87 ERAP2 (0.63) ERAP2IL1RNERAP1KDM4EEGLN1
SCHEMBL9385864 0.85 ERAP2 (0.62) ERAP2IL1RNERAP1KDM4EEGLN1
SCHEMBL9511620 0.85 ERAP2 (0.56) ERAP2IL1RNERAP1KDM4EEGLN1
SCHEMBL8102037 0.83 ERAP2 (0.59) ERAP2IL1RNERAP1KDM4EEGLN1
SCHEMBL8102285 0.80 ERAP2 (0.54) ERAP2IL1RNERAP1EGLN1VEGFA
SCHEMBL8132096 0.79 ERAP2 (0.54) ERAP2IL1RNERAP1MAPTLMNA
SCHEMBL8268683 0.75 ERAP2 (0.78) ERAP2IL1RNERAP1ALDH1A1LMNA

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 4 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
US-4912118-A Therapy for toxic concentration of metal NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-27 US disclosed
EP-0138421-A2 Hydroxypyridone derivatives and pharmaceutical compositions containing them NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-04-24 EP disclosed