SCHEMBL3249208

SCHEMBL3249208

CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.56
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE4A P27815 1/20 0.48

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
SCHEMBL15047640 1.00 NOD1 (0.56) NOD1GPR84PPARGPPARDPPARA
SCHEMBL3249203 1.00 NOD1 (0.56) NOD1GPR84PPARGPPARDPPARA
SCHEMBL28184751 1.00 NOD1 (0.56) NOD1GPR84PPARGPPARDPPARA
SCHEMBL29977697 1.00 NOD1 (0.56) NOD1GPR84PPARGPPARDPPARA
SCHEMBL29978075 1.00 NOD1 (0.56) NOD1GPR84PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL5034548 0.98 NOD1 (0.55) NOD1GPR84PPARGPPARDPPARA
SCHEMBL3802336 0.98 NOD1 (0.54) NOD1GPR84PPARGPPARDPPARA
SCHEMBL3802334 0.98 NOD1 (0.54) NOD1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL28060916 0.97 GPR84 (0.55) NOD1GPR84PPARGPPARDPPARA
SCHEMBL24712636 0.93 NOD1 (0.51) NOD1GPR84PPARGPPARDPPARA

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-0909296-B2 MODIFIED CARBON PRODUCTS AND AMPHIPHILIC IONS CONTAINING COMPOSITIONS CABOT CORP (US) 2010-05-19 EP claimed
EP-0909296-B1 MODIFIED CARBON PRODUCTS AND AMPHIPHILIC IONS CONTAINING COMPOSITIONS CABOT CORP (US) 2001-10-17 EP claimed
EP-0909296-A1 MODIFIED CARBON PRODUCTS AND AMPHIPHILIC IONS CONTAINING COMPOSITIONS CABOT CORPORATION (US) 1999-04-21 EP claimed
WO-1997047691-A1 MODIFIED CARBON PRODUCTS AND AMPHIPHILIC IONS CONTAINING COMPOSITIONS CABOT CORPORATION (US) 1997-12-18 WO claimed
US-5698016-A INKS, COATINGS CABOT CORPORATION (US) 1997-12-16 US claimed
US-6472471-B2 WHERE ATTACHED TO THE CARBON IS AN ORGANIC GROUP HAVING A C13 OR HIGHER ALKYL GROUP, FOR EXAMPLE AN OLEYL GROUP ATTACHED SUCH AS VIA DIAZONIUM SALT; INCREASES DISPERSION CABOT CORPORATION 2002-10-29 US disclosed
US-6110994-A FOR USE OF FILLERS, COLORANTS, UV STABILIZERS, OR REINFORCEMENT AGENTS IN POLYMERS; DISPERSABILITY OF THESE AGENTS IN POLYMERS CABOT CORPORATION (US) 2000-08-29 US disclosed