SCHEMBL14337388

SCHEMBL14337388

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40
HSP90AA1 P07900 1/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 2/20 0.37
XBP1 P17861 1/20 0.37
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
ALOX5 P09917 3/20 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
SCHEMBL14337340 0.84 NR5A2 (0.38) TSHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14337460 0.84 SMN1; SMN2 (0.53) TSHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL29087487 0.83 TSHR (0.37) TSHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL29087472 0.82 NR5A2 (0.36) TSHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14337334 0.81 CA2 (0.41) TSHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14337333 0.80 HTT (0.40) TSHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14337383 0.78 ALDH1A1 (0.39) TSHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14337272 0.77 HSP90AA1 (0.38) TSHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14337519 0.77 CYP1A2 (0.39) TSHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL23155262 0.76 ALDH1A1 (0.40) TSHRCYP1A2CYP3A4CYP2C19CYP2C9

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