SCHEMBL7761909

SCHEMBL7761909

C=C(C)C(=O)OOC(=O)CCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
DGKA P23743 1/20 0.50
LMNA P02545 3/20 0.47
PAM P19021 2/20 0.46
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
ALDH1A1 P00352 2/20 0.42
DNM1 Q05193 1/20 0.42
NAAA Q02083 1/20 0.42
GPR84 Q9NQS5 2/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
TLR2 O60603 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL3844764 1.00 TSHR (0.55) TSHRDGKALMNAPAMMAPT
SCHEMBL15329266 0.84 ALDH1A1 (0.46) TSHRLMNACES2CES1ALDH1A1
SCHEMBL10343184 0.84 DGKA (0.67) TSHRDGKALMNAPAMMAPT
SCHEMBL7950562 0.84 DGKA (0.67) TSHRDGKALMNAPAMMAPT
SCHEMBL15044 0.84 DGKA (0.67) TSHRDGKALMNAPAMMAPT
SCHEMBL94495 0.84 DGKA (0.67) TSHRDGKALMNAPAMMAPT
SCHEMBL11864698 0.84 DGKA (0.67) TSHRDGKALMNAPAMMAPT
SCHEMBL5586448 0.84 DGKA (0.67) TSHRDGKALMNAPAMMAPT
SCHEMBL308404 0.84 DGKA (0.67) TSHRDGKALMNAPAMMAPT
SCHEMBL22775305 0.84 DGKA (0.67) TSHRDGKALMNAPAMMAPT

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
EP-0576519-B1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 2001-04-18 EP claimed