SCHEMBL17447232

SCHEMBL17447232

COc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5ccc(C)cc5)c5ccc(CO)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.60
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PTGS2 P35354 3/20 0.44
PTGS1 P23219 2/20 0.44
ALOX5 P09917 2/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
TRPA1 O75762 1/20 0.44
TUBB1 Q9H4B7 2/20 0.43
ACHE P22303 1/20 0.43
ESR1 P03372 2/20 0.42
NQO2 P16083 2/20 0.42

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
SCHEMBL12731278 1.00 RELA (0.60) RELAMAOAMAOBPTGS2PTGS1
SCHEMBL806380 0.94 PTGS2 (0.49) RELAMAOBPTGS2PTGS1ALOX5
SCHEMBL12593370 0.91 ACHE (0.52) RELALMNASMN1; SMN2TP53MAPT
SCHEMBL19888139 0.91 ACHE (0.52) RELALMNASMN1; SMN2TP53MAPT
SCHEMBL19888131 0.91 ACHE (0.52) RELALMNASMN1; SMN2TP53MAPT
SCHEMBL13777814 0.89 NFE2L2 (0.42) RELAPTGS2PTGS1ALOX5SMN1; SMN2
SCHEMBL13903231 0.89 TRPA1 (0.56) RELAPTGS2PTGS1CYP1A1CYP1B1
SCHEMBL13610268 0.88 RELA (0.64) RELAMAOAMAOBPTGS2PTGS1
SCHEMBL16489738 0.88 RELA (0.78) RELAMAOAMAOBPTGS2PTGS1
SCHEMBL7904563 0.88 RELA (0.78) RELAMAOAMAOBPTGS2PTGS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160018746-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE FORMATION DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2016-01-21 US disclosed