SCHEMBL7933907

SCHEMBL7933907

COc1c(C)cc(C(CCO)C(=O)O)cc1C1(C)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.34
RARG P13631 3/20 0.34
RARA P10276 2/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
PPARA Q07869 1/20 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
SCHEMBL7942419 0.88 PTGDR (0.34) RARBRARGRARAPTGDRPTGDR2
SCHEMBL7940459 0.86 RARA (0.33) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8594628 0.85 GLA (0.41) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8401582 0.82 AKR1C3 (0.39) RARBRARGRARAPTGDRPTGDR2
SCHEMBL7933932 0.81 RARA (0.49) RARBRARGRARAPTGDRPTGDR2
SCHEMBL7933778 0.77 RARB (0.45) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8595049 0.77 GLA (0.43) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8399180 0.76 RARA (0.33) RARBRARGRARAPTGDRPTGDR2
SCHEMBL8401420 0.76 GLA (0.33) RARBRARGRARAPTGDRPTGDR2
SCHEMBL7933969 0.75 GLA (0.37) RARBRARGRARAPTGDRPTGDR2

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