SCHEMBL7944734

SCHEMBL7944734

CCOc1c(C(C)(C)C)cc(C(=O)OCCO)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ESR1 P03372 6/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
MAPT P10636 1/20 0.37
SERPINE1 P05121 1/20 0.37
TSHR P16473 1/20 0.36
AKR1C4 P17516 1/20 0.36

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
SCHEMBL7940320 0.92 ESR1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7944853 0.85 TNFRSF1A (0.45) GAAKMT2AALDH1A1LMNASCN1A
SCHEMBL7941183 0.84 ESR1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7941461 0.83 ESR1 (0.47) ESR1ALDH1A1AKR1C4AKR1C3AKR1C2
SCHEMBL7933935 0.82 SLC29A1 (0.39) ESR1GAAKMT2AALDH1A1LMNA
SCHEMBL7940314 0.82 THRA (0.46) CA12CA1CA2CA7CA9
SCHEMBL7943043 0.81 LMNA (0.49) CA1CA2ESR1ALDH1A1LMNA
SCHEMBL7942361 0.81 RXRA (0.38) GAAKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL7943237 0.81 TNFRSF1A (0.40) ESR1GAAKMT2AALDH1A1LMNA
SCHEMBL7943266 0.81 RXRA (0.50) GAAKMT2AHSD17B10NPC1MAPT

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
US-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed