SCHEMBL7941183

SCHEMBL7941183

CCOc1c(C)cc(C(=O)OCCCO)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.47
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
F2R P25116 5/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL7941461 0.96 ESR1 (0.47) ESR1CYP4F2CYP4A11F2RAKR1C4
SCHEMBL7940320 0.92 ESR1 (0.43) ESR1CYP4F2CYP4A11F2RALDH1A1
SCHEMBL7944838 0.87 ESR1 (0.46) ESR1F2R
SCHEMBL7940121 0.85 ESR1 (0.47) ESR1F2RAKR1C4AKR1C3AKR1C2
SCHEMBL7944734 0.84 CA12 (0.39) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7943202 0.82 ESR1 (0.58) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7933789 0.81 SCN1A (0.47) ESR1
SCHEMBL7942462 0.79 ESR1 (0.41) ESR1F2RALDH1A1
SCHEMBL7933661 0.79 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1
SCHEMBL7940101 0.78 SERPINE1 (0.51) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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