SCHEMBL14337265

SCHEMBL14337265

CC(C)(C)c1cc(/N=C\c2ccccc2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
ALOX5 P09917 5/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TNFRSF1A P19438 1/20 0.43
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 2/20 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
SCHEMBL12416798 0.88 ESRRG (0.42) PTGS2ALOX5CYP1A2CYP3A4CYP2C9
SCHEMBL16361246 0.85 PTGS2 (0.41) PTGS2ALOX5CYP1A2CYP3A4CYP2C9
SCHEMBL12416829 0.83 CA12 (0.53) PTGS2ALOX5CYP1A2CYP3A4CYP2C9
SCHEMBL14337262 0.81 G6PD (0.50) PTGS2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL30373545 0.79 GAA (0.63) HTTMEN1GAAKMT2APOLB
SCHEMBL623630 0.79 GAA (0.63) HTTMEN1GAAKMT2APOLB
SCHEMBL623631 0.79 GAA (0.63) HTTMEN1GAAKMT2APOLB
SCHEMBL14337334 0.78 CA2 (0.41) PTGS2ALOX5CYP1A2CYP3A4CYP2C9
SCHEMBL18859066 0.78 ALOX5 (0.57) PTGS2ALOX5CYP1A2CYP3A4CYP2C9
SCHEMBL1228536 0.78 ALOX5 (0.57) PTGS2ALOX5CYP1A2CYP3A4CYP2C9

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-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