SCHEMBL13623145

SCHEMBL13623145

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 5/20 0.63
NFE2L2 Q16236 4/20 0.63
TRPA1 O75762 1/20 0.61
CYP1A2 P05177 4/20 0.51
CYP1A1 P04798 3/20 0.51
CYP1B1 Q16678 3/20 0.51
ESR1 P03372 2/20 0.50
ABL1 P00519 1/20 0.50
TTR P02766 1/20 0.50
ABCB1 P08183 1/20 0.50
ALOX5 P09917 1/20 0.50
BCR P11274 1/20 0.50
CYP19A1 P11511 1/20 0.50
NQO2 P16083 1/20 0.50
PTGS2 P35354 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
AHR P35869 1/20 0.50
TUBA1B P68363 1/20 0.50

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
SCHEMBL12533832 1.00 RELA (0.63) RELANFE2L2TRPA1CYP1A2CYP1A1
SCHEMBL4407611 0.94 RELA (0.64) RELANFE2L2TRPA1CYP1A2CYP1A1
SCHEMBL12576265 0.94 RELA (0.64) RELANFE2L2TRPA1CYP1A2CYP1A1
SCHEMBL8943877 0.89 TRPA1 (0.71) RELANFE2L2TRPA1CYP1A2CYP1A1
SCHEMBL5487747 0.89 TRPA1 (0.78) RELANFE2L2TRPA1CYP1A2CYP1A1
SCHEMBL5487752 0.89 TRPA1 (0.78) RELANFE2L2TRPA1CYP1A2CYP1A1
SCHEMBL6819748 0.89 TRPA1 (0.71) RELANFE2L2TRPA1CYP1A2CYP1A1
SCHEMBL8943882 0.89 TRPA1 (0.71) RELANFE2L2TRPA1CYP1A2CYP1A1
SCHEMBL16492030 0.89 TRPA1 (0.71) RELANFE2L2TRPA1CYP1A2CYP1A1
SCHEMBL4402914 0.89 TRPA1 (0.71) RELANFE2L2TRPA1CYP1A2CYP1A1

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-7622232-B2 Electrophotographic photoreceptor and electrophotographic imaging apparatus employing the photoreceptor SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-11-24 US disclosed
EP-1821151-A1 Electrophotographic photoreceptor and electrophotographic imaging apparatus employing the photoreceptor Samsung Electronics Co., Ltd. (KR) 2007-08-22 EP disclosed