SCHEMBL9060758

SCHEMBL9060758

CCCCCCCCCCCCCCCCCCCCCCC=C(Cl)C(=O)Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.55
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
FAAH O00519 3/20 0.44
TERT O14746 3/20 0.44
PTPN1 P18031 3/20 0.44
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 2/20 0.44
BLM P54132 2/20 0.44
HSD17B10 Q99714 2/20 0.44
FABP4 P15090 2/20 0.44
KMT2A Q03164 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL9060755 1.00 EP300 (0.55) EP300TSHRALDH1A1FAAHTERT
SCHEMBL9062586 0.98 EP300 (0.52) EP300TSHRALDH1A1FAAHTERT
SCHEMBL9062584 0.98 EP300 (0.52) EP300TSHRALDH1A1FAAHTERT
SCHEMBL29280340 0.85 EP300 (0.64) EP300TSHRALDH1A1FAAHTERT
SCHEMBL29280339 0.85 EP300 (0.64) EP300TSHRALDH1A1FAAHTERT
SCHEMBL8937974 0.85 EP300 (0.64) EP300TSHRALDH1A1FAAHTERT
SCHEMBL28904485 0.85 EP300 (0.64) EP300TSHRALDH1A1FAAHTERT
SCHEMBL29245977 0.82 ALOX5 (0.43) EP300
SCHEMBL1114626 0.81 EP300 (0.53) EP300TSHRALDH1A1FAAHTERT
SCHEMBL1114625 0.81 EP300 (0.53) EP300TSHRALDH1A1FAAHTERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5550161-A COMPOUNDS WHICH CHELATE IRON AND ALUMINUM IONS; TREATMENT OF VARIOUS ANEMIAS, HEMOSIDEROSIS, ALZHEIMER*S DISEASE ORAL-D (US) 1996-08-27 US disclosed
WO-1992020227-A1 SUBSTITUTED ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE ORAL-D (US) 1992-11-26 WO disclosed
US-5047421-A Treating trivalent metal overload conditions in humans ORAL-D (US) 1991-09-10 US disclosed
US-5015664-A Orally effective ion chelators related to deferoxamine ORAL D (US) 1991-05-14 US disclosed
US-4684482-A DEFEROXAMINE DERIVATIVES ORAL-D (L.P.) (US) 1987-08-04 US disclosed
US-4671901-A DIFEROXAMINE DERIVATIVES FOR REDUCTION OF METAL ION TUSSUE OV ERLOAD ORAL-D (US) 1987-06-09 US disclosed
EP-0171414-A1 ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE. ORAL D (US) 1986-02-19 EP disclosed
WO-1985003290-A1 ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE ORAL-D (US) 1985-08-01 WO disclosed