SCHEMBL7941333

SCHEMBL7941333

CCC(CO)OCc1cc(C)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DHFR P00374 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
OGA O60502 1/20 0.31
SCN2A Q99250 2/20 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
SCHEMBL7942911 0.86 ALDH1A1 (0.34) ALDH1A1TSHRTDP1DHFRADRA2A
SCHEMBL7940426 0.79 HSPA5 (0.38) F2RALDH1A1TSHRTDP1
SCHEMBL8400777 0.77 ALDH1A1 (0.40) ALDH1A1TSHROGA
SCHEMBL7944931 0.76 TSHR (0.34) F2RALDH1A1TSHRTDP1
SCHEMBL8397543 0.75 ALDH1A1 (0.35) ALDH1A1TSHRTDP1DHFRADRA2A
SCHEMBL6567280 0.74 DHFR (0.37) NR3C1NR3C2ALDH1A1TSHRTDP1
SCHEMBL7933672 0.72 TNKS2 (0.41) ALDH1A1TSHRTDP1DHFRADRA2A
SCHEMBL6123748 0.72 TNKS2 (0.44) ALDH1A1TSHRTDP1DHFRADRA2A
SCHEMBL7942370 0.71 GSR (0.61) ALDH1A1SCN2A
SCHEMBL6123665 0.70 PTGS2 (0.41) NR3C1NR3C2ALDH1A1TSHRTDP1

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 3 patents. 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
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5874494-A DETERIORATION STABILIZER FOR THERMOPLASTIC RESIN; OXIDATION RESISTANCE, DISCOLORATION INHIBITION, HEAT RESISTANCE, CROSSLINKING INHIBITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed