SCHEMBL28964346

SCHEMBL28964346

CC(C)(C)c1cc(OC(=O)c2ccc(O)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.57
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
SENP1 Q9P0U3 1/20 0.46
CA12 O43570 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
ELANE P08246 1/20 0.45
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.44
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
ESRRA P11474 1/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL27974311 0.87 TDP1 (0.59) NR1H4CA1CA2MAPTTDP1
SCHEMBL11039356 0.87 NR1H4 (0.50) NR1H4CA1CA2ELANEMAPT
SCHEMBL28526351 0.86 NR1H4 (0.59) NR1H4CA1CA2MAPTTDP1
SCHEMBL38654691 0.86 MAPT (0.58) NR1H4CA1CA2MAPTTDP1
SCHEMBL30288143 0.84 NR1H4 (0.79) NR1H4ELANEMAPTL3MBTL1ESRRA
SCHEMBL778225 0.83 NR1H4 (0.60) NR1H4CA1CA2CA12CA7
SCHEMBL13463774 0.82 NR1H4 (0.59) NR1H4CA1CA2CA12CA7
SCHEMBL28526352 0.81 NR1H4 (0.54) NR1H4CA1CA2MAPTTDP1
SCHEMBL8205792 0.81 CA12 (0.52) NR1H4CA1CA2SENP1CA12
SCHEMBL9967349 0.80 CA12 (0.56) CA1CA2SENP1CA12CA7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295419-B Molded article 古河电气工业株式会社 2023-03-10 CN disclosed