SCHEMBL7944838

SCHEMBL7944838

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
SLC29A1 Q99808 6/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
THPO P40225 2/20 0.41
MTOR P42345 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PMP22 Q01453 2/20 0.40
ABCC4 O15439 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
MAPK1 P28482 1/20 0.40

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 0.97 ESR1 (0.47) ESR1SCN1ASCN2ASCN3ASLC29A1
SCHEMBL7942462 0.92 ESR1 (0.41) ESR1SCN1ASCN2ASCN3ASLC29A1
SCHEMBL7933789 0.92 SCN1A (0.47) ESR1SCN1ASCN2ASCN3ASLC29A1
SCHEMBL7933594 0.91 SLC29A1 (0.47) ESR1SCN1ASCN2ASCN3ASLC29A1
SCHEMBL7941183 0.87 ESR1 (0.47) ESR1F2R
SCHEMBL7941461 0.86 ESR1 (0.47) ESR1CYP3A4CYP2D6THPOMTOR
SCHEMBL7943202 0.84 ESR1 (0.58) ESR1LMNACYP2C9CYP2C19SERPINE1
SCHEMBL7944853 0.83 TNFRSF1A (0.45) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL7944813 0.83 ESR1 (0.58) ESR1CYP2C9CYP2C19SERPINE1
SCHEMBL7933777 0.82 ESR1 (0.41) ESR1SCN1ASCN2ASCN3ASLC29A1

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