SCHEMBL17489575

SCHEMBL17489575

COc1ccc(/C=C/c2ccc(N(C=C(c3ccccc3)c3ccccc3)c3ccc(/C=C/c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.57
RELA Q04206 5/20 0.52
BCHE P06276 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
TRPM8 Q7Z2W7 3/20 0.49
NFE2L2 Q16236 2/20 0.48
SNCA P37840 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
CYP1B1 Q16678 3/20 0.46
MAOB P27338 2/20 0.46
MEN1 O00255 1/20 0.46
HSPD1 P10809 1/20 0.46
TNFRSF1A P19438 1/20 0.46
HSPE1 P61604 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13609993 1.00 TRPA1 (0.57) TRPA1RELABCHECYP3A4NFKB1
SCHEMBL18052485 0.93 TRPA1 (0.53) TRPA1RELABCHECYP3A4NFKB1
SCHEMBL12040849 0.93 TRPA1 (0.53) TRPA1RELABCHECYP3A4NFKB1
SCHEMBL17486893 0.91 TRPA1 (0.48) TRPA1RELABCHECYP3A4NFKB1
SCHEMBL13580064 0.91 KDM4E (0.47) TRPA1RELABCHECYP3A4NFKB1
SCHEMBL12402094 0.90 CYP3A4 (0.50) TRPA1RELABCHECYP3A4NFKB1
SCHEMBL13242007 0.88 CES2 (0.45) RELABCHECYP3A4NFKB1NFKB2
SCHEMBL17735852 0.87 TSHR (0.44) CYP3A4ALDH1A1KDM4EHPGDKMT2A
SCHEMBL13679113 0.87 SRD5A2 (0.46) TRPA1RELABCHECYP3A4NFKB1
SCHEMBL21188357 0.86 KDM4E (0.53) TRPA1CYP3A4TRPM8ALDH1A1MAPT

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-9581921-B2 Electrophotographic photosensitive member KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2017-02-28 US disclosed
US-20160033885-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2016-02-04 US disclosed