SCHEMBL7942419

SCHEMBL7942419

CCc1cc(C(CCO)C(=O)O)cc(C2(C)CCCCC2)c1OC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
AKR1C3 P42330 3/20 0.30
AKR1C2 P52895 3/20 0.30
AKR1C1 Q04828 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL7933907 0.88 RARB (0.34) PTGDRPTGDR2RARARARBRARG
SCHEMBL8595049 0.85 GLA (0.43) PTGDRPTGDR2RARARARBRARG
SCHEMBL7940459 0.85 RARA (0.33) PTGDRPTGDR2RARARARBRARG
SCHEMBL8400766 0.84 PTGDR (0.36) PTGDRPTGDR2RARARARBRARG
SCHEMBL8400690 0.80 RARA (0.33) PTGDRPTGDR2RARARARBRARG
SCHEMBL7933932 0.80 RARA (0.49) PTGDRPTGDR2RARARARBRARG
SCHEMBL8400785 0.79 RARA (0.33) PTGDRPTGDR2RARARARBRARG
SCHEMBL8594628 0.77 GLA (0.41) PTGDRPTGDR2RARARARBRARG
SCHEMBL7933778 0.76 RARB (0.45) PTGDRPTGDR2RARARARBRARG
SCHEMBL7786557 0.76 RARB (0.47) PTGDRPTGDR2RARARARBRARG

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-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed