SCHEMBL7942545

SCHEMBL7942545

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.41
SERPINE1 P05121 4/20 0.41
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
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
TYR P14679 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 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
SCHEMBL7933960 0.90 ESR1 (0.43) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7942431 0.89 HSPA5 (0.45) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7942418 0.88 LMNA (0.46) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7942620 0.86 ESR1 (0.54) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7933964 0.86 ESR1 (0.47) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7940414 0.84 SLC29A1 (0.38) ESR1KDM4EALDH1A1GAAPKM
SCHEMBL9556848 0.81 SERPINE1 (0.50) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7933825 0.80 KDM4E (0.48) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL3810025 0.78 ALDH1A1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL7943043 0.78 LMNA (0.49) 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