SCHEMBL9836853

SCHEMBL9836853

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)O)(C(=O)O)S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
FFAR1 O14842 2/20 0.41
CPT2 P23786 1/20 0.41
HSPD1 P10809 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL28189670 1.00 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL749698 1.00 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL2418933 1.00 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL573838 1.00 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL208623 1.00 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM
Tridecane SCHEMBL11754456 1.00 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL1840384 1.00 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL9645095 1.00 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL2314036 1.00 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL28135836 1.00 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM

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-0241469-B1 PARTICLES FROM A HYDROPHOBIC OR POORLY SOLUBLE SUBSTANCE AND PROCESS FOR RENDERING THEM HYDROPHILIC Gergely, Gerhard, Dr. (AT) 1991-10-23 EP disclosed
WO-1986003675-A1 PARTICLES FROM A HYDROPHOBIC OR POORLY SOLUBLE SUBSTANCE AND PROCESS FOR RENDERING THEM HYDROPHILIC GERGELY GERHARD (AT) 1986-07-03 WO disclosed