SCHEMBL22062704

SCHEMBL22062704

CC1CC(C(c2ccc(OCC3COC(=O)O3)cc2)C(c2ccc(OCC3COC(=O)O3)cc2)c2ccc(OCC3COC(=O)O3)cc2)=CC=C1OCC1COC(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.36
GRM2 Q14416 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34

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
SCHEMBL15445683 0.83 FFAR1 (0.43) FFAR1GRM2
SCHEMBL14706331 0.76 FFAR1 (0.39) FFAR1GRM2
SCHEMBL15003900 0.76 GRM2 (0.45) FFAR1GRM2CYP2C9CYP2B6SLCO1B3
SCHEMBL9999539 0.75 FFAR1 (0.43) FFAR1GRM2
SCHEMBL13003978 0.75 ALDH1A1 (0.49) FFAR1GRM2
SCHEMBL9840378 0.71 PKM (0.55) FFAR1GRM2
SCHEMBL11157955 0.71 GRM2 (0.51) FFAR1GRM2
SCHEMBL20962198 0.70 FFAR1 (0.42) FFAR1GRM2CYP2C9CYP2B6SLCO1B3
SCHEMBL9881096 0.69 ALDH1A1 (0.43) FFAR1GRM2
SCHEMBL1324044 0.69 TDP1 (0.61) FFAR1GRM2

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-2706078-B1 POLYHYDROXYURETHANE MICROPARTICLES, AND PROCESS FOR PRODUCING SAME DAINICHISEIKA COLOR CHEM (JP) 2020-06-10 EP disclosed