SCHEMBL7168252

SCHEMBL7168252

CCCCC(C(C)=O)(C(=O)O)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.40
HSPD1 P10809 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
FFAR1 O14842 2/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CPT2 P23786 1/20 0.33
TSHR P16473 4/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
AKR1B1 P15121 1/20 0.32
PPARG P37231 5/20 0.31
PPARD Q03181 5/20 0.31
PPARA Q07869 5/20 0.31

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
SCHEMBL15321745 0.93 HSPD1 (0.42) ACLYHSPD1BLMHSPE1ALDH1A1
SCHEMBL8417243 0.81 FDPS (0.39) ALDH1A1TDP1FFAR1TSHRPPARG
SCHEMBL9955906 0.78 GPR84 (0.43) ALDH1A1TDP1FFAR1TSHRPPARG
SCHEMBL9955763 0.78 GPR84 (0.43) ALDH1A1TDP1FFAR1TSHRPPARG
SCHEMBL9956136 0.78 GPR84 (0.43) ALDH1A1TDP1FFAR1TSHRPPARG
SCHEMBL9955059 0.78 GPR84 (0.43) ALDH1A1TDP1FFAR1TSHRPPARG
SCHEMBL9954064 0.78 GPR84 (0.43) ALDH1A1TDP1FFAR1TSHRPPARG
SCHEMBL9954545 0.78 GPR84 (0.43) ALDH1A1TDP1FFAR1TSHRPPARG
SCHEMBL9955229 0.78 GPR84 (0.43) ALDH1A1TDP1FFAR1TSHRPPARG
SCHEMBL9955012 0.78 GPR84 (0.43) ALDH1A1TDP1FFAR1TSHRPPARG

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
US-6559192-B2 Average pore diameter of .01-3 mu m, and porosity of 30-90%; 10-70% of ethylene, 30-90% of tetrafluoroethylene and/or chlorotrifluoroethylene, and 01-30% of a hydrogenated ethyleneically unsaturated monomer AUSIMONT S.P.A. (IT) 2003-05-06 US disclosed