SCHEMBL5208699

SCHEMBL5208699

C=CCC(CCCCC)=C(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
THRB P10828 1/20 0.52
PGGT1B P53609 1/20 0.52
AKR1B1 P15121 1/20 0.43
TSHR P16473 5/20 0.43
FAAH O00519 1/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42

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
SCHEMBL5208691 1.00 FNTA (0.52) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL1841991 0.98 FNTA (0.55) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL5141355 0.98 FNTA (0.55) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL1841994 0.98 FNTA (0.55) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL3321344 0.84 FNTA (0.63) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL866924 0.82 FNTA (0.67) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL356072 0.82 FNTA (0.67) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL6683787 0.82 FNTA (0.67) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL243548 0.82 FNTA (0.67) FNTAFNTBTHRBPGGT1BAKR1B1
SCHEMBL2229067 0.82 FNTA (0.67) FNTAFNTBTHRBPGGT1BAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812484-A1 CORE-SHELL PARTICLES Merck Patent GmbH (DE) 2007-08-01 EP claimed
WO-2006053640-A1 CORE-SHELL PARTICLES MERCK PATENT GMBH (DE) 2006-05-26 WO claimed