SCHEMBL2425666

SCHEMBL2425666

COC(=O)CCCC=CCCCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.72
PPARG P37231 6/20 0.55
PPARD Q03181 5/20 0.55
PPARA Q07869 5/20 0.55
TOP1 P11387 3/20 0.55
CYP19A1 P11511 3/20 0.55
KMT2A Q03164 3/20 0.55
F7 P08709 3/20 0.55
F3 P13726 3/20 0.55
ALDH1A1 P00352 3/20 0.55
ADORA3 P0DMS8 2/20 0.55
PTGS1 P23219 2/20 0.55
RXRA P19793 1/20 0.55
OXER1 Q8TDS5 1/20 0.55
MAPT P10636 3/20 0.53
FABP4 P15090 3/20 0.53
BLM P54132 3/20 0.53
HSD17B10 Q99714 3/20 0.53
USP2 O75604 2/20 0.53
LMNA P02545 2/20 0.53

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
SCHEMBL3700884 0.94 TSHR (0.64) TSHRPPARGPPARDPPARATOP1
SCHEMBL2800951 0.92 TSHR (0.67) TSHRPPARGPPARDPPARATOP1
SCHEMBL23925403 0.92 TSHR (0.67) TSHRPPARGPPARDPPARATOP1
SCHEMBL11437841 0.92 TSHR (0.67) TSHRPPARGPPARDPPARATOP1
SCHEMBL23925457 0.92 TSHR (0.67) TSHRPPARGPPARDPPARATOP1
SCHEMBL23925402 0.92 TSHR (0.67) TSHRPPARGPPARDPPARATOP1
SCHEMBL11443984 0.92 TSHR (0.67) TSHRPPARGPPARDPPARATOP1
SCHEMBL14698511 0.92 TSHR (0.67) TSHRPPARGPPARDPPARATOP1
SCHEMBL2425661 0.91 TSHR (0.67) TSHRALDH1A1ADORA3OXER1LMNA
SCHEMBL2425660 0.91 TSHR (0.67) TSHRALDH1A1ADORA3OXER1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011110349-A2 PROCESS FOR THE PREPARATION OF DICARBOXYLIC ACIDS OR DICARBOXYLIC ACID ESTERS BY METATHESIS EMERY OLEOCHEMICALS GMBH (DE) 2011-09-15 WO disclosed