SCHEMBL14337334

SCHEMBL14337334

C/C=N\c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
HTT P42858 2/20 0.41
HSP90AA1 P07900 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
PTGS2 P35354 4/20 0.38
ALOX5 P09917 3/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL14337333 0.84 HTT (0.40) CA2CA1HTTHSP90AA1SMN1; SMN2
SCHEMBL14337336 0.82 SMN1; SMN2 (0.59) CA2CA1HTTSMN1; SMN2ALDH1A1
SCHEMBL14337519 0.81 CYP1A2 (0.39) CA2CA1HTTHSP90AA1SMN1; SMN2
SCHEMBL14337272 0.81 HSP90AA1 (0.38) CA2CA1HTTHSP90AA1SMN1; SMN2
SCHEMBL14337388 0.81 TSHR (0.42) CA2CA1HTTHSP90AA1SMN1; SMN2
SCHEMBL14337340 0.79 NR5A2 (0.38) CA2CA1HTTHSP90AA1SMN1; SMN2
SCHEMBL14337299 0.79 MEN1 (0.39) CA2CA1HTTHSP90AA1SMN1; SMN2
SCHEMBL12416829 0.79 CA12 (0.53) CA2HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL14337261 0.78 CA2 (0.43) CA2CA1HTTHSP90AA1SMN1; SMN2
SCHEMBL22080995 0.78 CA2 (0.43) CA2CA1HTTHSP90AA1SMN1; SMN2

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-7312284-B2 Process for producing polar olefin copolymer and polar olefin copolymer obtained thereby MITSUI CHEMICALS, INC. (JP) 2007-12-25 US disclosed
US-7312284-B2 Process for producing polar olefin copolymer and polar olefin copolymer obtained thereby MITSUI CHEMICALS, INC. (JP) 2007-12-25 US disclosed
EP-1832609-A2 Process for producing a copolymer of a non-polar olefin and a polar olefin and the copolymer obtained thereby Mitsui Chemicals, Inc. (JP) 2007-09-12 EP disclosed