SCHEMBL7944807

SCHEMBL7944807

CC(C)(C)c1cc(O)cc(C(=O)OCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
ESR1 P03372 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
SERPINE1 P05121 4/20 0.42
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL7175872 0.83 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL7942930 0.82 ALDH1A1 (0.40) TDP1ALDH1A1SERPINE1
SCHEMBL7754396 0.80 LMNA (0.53) CA12CA1CA2CA7CA9
SCHEMBL1188779 0.78 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL7943043 0.78 LMNA (0.49) CA1CA2ESR1ALDH1A1SERPINE1
SCHEMBL21074268 0.77 CA1 (0.48) CA1CA2ESR1TDP1ALDH1A1
SCHEMBL18542385 0.77 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7933917 0.74 ESR1 (0.41) ESR1TDP1ALDH1A1SERPINE1
SCHEMBL10546693 0.74 GABRA1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL7933801 0.74 APP (0.41) GABRA1GABRB2TDP1

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