SCHEMBL7941343

SCHEMBL7941343

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
SLC29A1 Q99808 6/20 0.39
TNFRSF1A P19438 2/20 0.39
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 2/20 0.38
THPO P40225 2/20 0.38
MTOR P42345 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
PMP22 Q01453 2/20 0.37
ABCC4 O15439 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7944853 0.91 TNFRSF1A (0.45) SCN1ASCN2ASCN3ASLC29A1TNFRSF1A
SCHEMBL7933777 0.89 ESR1 (0.41) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL7943237 0.88 TNFRSF1A (0.40) SCN1ASCN2ASCN3ASLC29A1TNFRSF1A
SCHEMBL7944996 0.88 CYP3A4 (0.39) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL7941344 0.85 ESR1 (0.40) TNFRSF1AESR1
SCHEMBL7933789 0.85 SCN1A (0.47) SCN1ASCN2ASCN3ASLC29A1TNFRSF1A
SCHEMBL7933567 0.84 SERPINE1 (0.42) SMN1; SMN2LMNAMAPK1SERPINE1ESR1
SCHEMBL7933594 0.84 SLC29A1 (0.47) SCN1ASCN2ASCN3ASLC29A1TNFRSF1A
SCHEMBL7942462 0.83 ESR1 (0.41) SCN1ASCN2ASCN3ASLC29A1TNFRSF1A
SCHEMBL7933935 0.82 SLC29A1 (0.39) SCN1ASCN2ASCN3ASLC29A1TNFRSF1A

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 2 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