SCHEMBL7933960

SCHEMBL7933960

CCc1cc(C(=O)OCCO)cc(C(C)(C)CC(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.43
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SERPINE1 P05121 4/20 0.40
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 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
SCHEMBL7942545 0.90 ESR1 (0.41) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7933567 0.87 SERPINE1 (0.42) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7942431 0.87 HSPA5 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7933964 0.86 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7944749 0.86 ESR1 (0.52) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7944996 0.85 CYP3A4 (0.39) ESR1LMNACYP2D6TSHRMAPK1
SCHEMBL3809056 0.79 ALDH1A1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL9556848 0.79 SERPINE1 (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7933735 0.79 HDAC6 (0.47) ESR1SERPINE1CA12CA1CA2
SCHEMBL11425542 0.79 ESR1 (0.63) 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