SCHEMBL7942462

SCHEMBL7942462

COc1c(C)cc(C(=O)OCCO)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
SLC29A1 Q99808 4/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
CYP3A4 P08684 3/20 0.39
TNFRSF1A P19438 2/20 0.39
CYP2D6 P10635 2/20 0.37
THPO P40225 2/20 0.37
MTOR P42345 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ABCC4 O15439 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7940121 0.92 ESR1 (0.47) ESR1SLC29A1SCN1ASCN2ASCN3A
SCHEMBL7944838 0.92 ESR1 (0.46) ESR1SLC29A1SCN1ASCN2ASCN3A
SCHEMBL7944853 0.91 TNFRSF1A (0.45) SLC29A1SCN1ASCN2ASCN3ACYP3A4
SCHEMBL7942531 0.88 ESR1 (0.42) ESR1SLC29A1SCN1ASCN2ASCN3A
SCHEMBL7933777 0.87 ESR1 (0.41) ESR1SLC29A1SCN1ASCN2ASCN3A
SCHEMBL7940320 0.86 ESR1 (0.43) ESR1SCN1ASCN2ASCN3AKMT2A
SCHEMBL7933935 0.85 SLC29A1 (0.39) ESR1SLC29A1SCN1ASCN2ASCN3A
SCHEMBL7933594 0.84 SLC29A1 (0.47) ESR1SLC29A1SCN1ASCN2ASCN3A
SCHEMBL7943237 0.84 TNFRSF1A (0.40) ESR1SLC29A1SCN1ASCN2ASCN3A
SCHEMBL7933779 0.83 ESR1 (0.47) ESR1

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-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed