SCHEMBL7944749

SCHEMBL7944749

Cc1cc(C(=O)OCCO)cc(C(C)(C)CC(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.52
SERPINE1 P05121 4/20 0.41
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7933567 0.88 SERPINE1 (0.42) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7942620 0.88 ESR1 (0.54) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7943065 0.86 ESR1 (0.54) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7933960 0.86 ESR1 (0.43) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7944750 0.85 ESR1 (0.59) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7933777 0.85 ESR1 (0.41) ESR1CYP3A4SMN1; SMN2
SCHEMBL7943202 0.81 ESR1 (0.58) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7944813 0.80 ESR1 (0.58) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7933735 0.80 HDAC6 (0.47) ESR1SERPINE1CA12CA1CA2
SCHEMBL29030253 0.79 SERPINE1 (0.50) ESR1SERPINE1AKR1C4AKR1C3AKR1C2

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