SCHEMBL9503709

SCHEMBL9503709

CCC(I)CCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
SLC22A6 Q4U2R8 2/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
PDE4A P27815 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
SCHEMBL14302594 0.86
SCHEMBL5487808 0.86
SCHEMBL23928798 0.77 FFAR4 (0.69) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL25490298 0.77 FFAR4 (0.69) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL23928788 0.77 FFAR4 (0.63) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL2696820 0.76 GSTK1 (0.56) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL14360113 0.76 ALDH1A1 (0.50) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL14360224 0.76 GSTK1 (0.56) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL25490343 0.75 AKR1B1 (0.40) AKR1B1GPR84PPARGPPARDPPARA
Diiodostearate SCHEMBL28447583 0.75 FFAR4 (0.67) AKR1B1GPR84PPARGPPARDPPARA

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
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
EP-0200377-B1 HYDROXAMATES SQUIBB & SONS INC (US) 1991-10-09 EP disclosed
EP-0200377-A2 Hydroxamates E.R. Squibb & Sons, Inc. (US) 1986-11-05 EP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
US-4604407-A Hydroxamates E. R. SQUIBB & SONS, INC. (US) 1986-08-05 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed