SCHEMBL7943232

SCHEMBL7943232

CC(C)(C)c1cc(C(=O)OCCCCO)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.50
SERPINE1 P05121 3/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
VCAM1 P19320 2/20 0.46
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL7940101 0.95 SERPINE1 (0.51) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL9246950 0.92 ESR1 (0.58) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7944813 0.92 ESR1 (0.58) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7943043 0.89 LMNA (0.49) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL13840644 0.88 ESR1 (0.66) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7759185 0.88 ESR1 (0.50) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7943202 0.87 ESR1 (0.58) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL439370 0.87 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5909518 0.87 ESR1 (0.68) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL539846 0.87 ESR1 (0.68) 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
EP-0861847-A2 Stabilizer composition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-02 EP disclosed