SCHEMBL7940256

SCHEMBL7940256

CC(C)(C)c1cc(C(=O)OCCO)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.52
HSP90AB1 P08238 5/20 0.52
NR1H4 Q96RI1 2/20 0.48
ESRRA P11474 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ESR1 P03372 3/20 0.47
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
RARA P10276 1/20 0.45
ALDH1A1 P00352 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 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
SCHEMBL7933825 0.87 KDM4E (0.48) HSP90AA1HSP90AB1KDM4EPOLBHDAC6
SCHEMBL7933735 0.86 HDAC6 (0.47) HSP90AA1HSP90AB1KDM4EPOLBHDAC6
SCHEMBL5364276 0.84 CA12 (0.68) HSP90AA1HSP90AB1NR1H4ESRRAKDM4E
SCHEMBL19182178 0.83 ESR1 (0.59) HSP90AA1HSP90AB1HDAC6ESR1ALDH1A1
SCHEMBL11404522 0.83 ESR1 (0.59) HSP90AA1HSP90AB1HDAC6ESR1ALDH1A1
SCHEMBL18016984 0.83 ESR1 (0.59) HSP90AA1HSP90AB1HDAC6ESR1ALDH1A1
SCHEMBL18016986 0.83 ESR1 (0.59) HSP90AA1HSP90AB1HDAC6ESR1ALDH1A1
SCHEMBL19182177 0.83 ESR1 (0.59) HSP90AA1HSP90AB1HDAC6ESR1ALDH1A1
SCHEMBL7943043 0.83 LMNA (0.49) KDM4ECA1CA2ESR1ALDH1A1
SCHEMBL7940070 0.82 RARA (0.49) KDM4EPOLBHDAC6RARBRARG

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 2 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