SCHEMBL7933929

SCHEMBL7933929

COc1c(C(C)(C)C)cc(COCCCCO)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
VCAM1 P19320 2/20 0.35
PTGS2 P35354 1/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.33
F2R P25116 2/20 0.33
TNFRSF1A P19438 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GSR P00390 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 2/20 0.32
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32

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
SCHEMBL7942551 0.95 DHFR (0.38) DHFRVCAM1PTGS2CYP3A4ALDH1A1
SCHEMBL7940053 0.89 DHFR (0.40) DHFRPTGS2CYP3A4ALDH1A1TDP1
SCHEMBL7941416 0.84 ALDH1A1 (0.47) VCAM1CYP3A4ALDH1A1TDP1TSHR
SCHEMBL8397543 0.84 ALDH1A1 (0.35) DHFRPTGS2CYP3A4ALDH1A1TDP1
SCHEMBL6566985 0.81 TNKS2 (0.44) DHFRVCAM1PTGS2CYP3A4ALDH1A1
SCHEMBL7941099 0.80 ALDH1A1 (0.49) VCAM1CYP3A4ALDH1A1TDP1TSHR
SCHEMBL7941240 0.79 CYP1A2 (0.44) VCAM1CYP3A4ALDH1A1TDP1TSHR
SCHEMBL7933641 0.79 ALDH1A1 (0.35) VCAM1CYP3A4ALDH1A1TDP1TSHR
SCHEMBL6568715 0.79 TNKS2 (0.49) DHFRVCAM1PTGS2CYP3A4ALDH1A1
SCHEMBL7933921 0.78 ALDH1A1 (0.46) CYP3A4ALDH1A1TDP1TSHRL3MBTL1

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