SCHEMBL7940053

SCHEMBL7940053

COc1c(C(C)(C)C)cc(COCCO)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
PTGS2 P35354 3/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 3/20 0.35
GSR P00390 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TNFRSF1A P19438 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 4/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 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
SCHEMBL8397543 0.91 ALDH1A1 (0.35) DHFRSMN1; SMN2PTGS2ALDH1A1TSHR
SCHEMBL7942551 0.90 DHFR (0.38) DHFRSMN1; SMN2PTGS2ALDH1A1TSHR
SCHEMBL7933929 0.89 DHFR (0.37) DHFRSMN1; SMN2PTGS2ALDH1A1TSHR
SCHEMBL7944987 0.83 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1TSHRTDP1HPGD
SCHEMBL7941404 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL7933963 0.79 ALDH1A1 (0.31) DHFRALDH1A1TSHRTDP1
SCHEMBL6567279 0.79 DHFR (0.43) DHFRSMN1; SMN2PTGS2ALDH1A1TSHR
SCHEMBL7940191 0.78 HSPA5 (0.41) DHFRSMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL8397544 0.78 RARG (0.35) DHFRSMN1; SMN2PTGS2ALDH1A1TSHR
SCHEMBL18476024 0.78 MAPT (0.47) DHFRSMN1; SMN2PTGS2ALDH1A1TSHR

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