SCHEMBL21362474

SCHEMBL21362474

C=CC(=O)OCCc1ccc(/C(=C\c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
THRB P10828 2/20 0.40
AKR1B10 O60218 4/20 0.39
AKR1B1 P15121 4/20 0.39
MAOB P27338 1/20 0.38
CYP2D6 P10635 2/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TTR P02766 4/20 0.37
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX5 P09917 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL2609806 1.00 PTGS2 (0.44) PTGS2THRBAKR1B10AKR1B1MAOB
SCHEMBL13777695 0.96 PTGS2 (0.40) PTGS2THRBAKR1B10AKR1B1MAOB
SCHEMBL13777751 0.95 THRB (0.44) PTGS2THRBAKR1B10AKR1B1MAOB
SCHEMBL2609802 0.94 THRB (0.43) PTGS2THRBAKR1B10AKR1B1MAOB
SCHEMBL21362473 0.94 THRB (0.43) PTGS2THRBAKR1B10AKR1B1MAOB
SCHEMBL13777681 0.94 THRB (0.45) PTGS2THRBAKR1B10AKR1B1MAOB
SCHEMBL13777731 0.90 THRB (0.45) PTGS2THRBAKR1B10AKR1B1MAOB
SCHEMBL13777758 0.90 THRB (0.45) PTGS2THRBAKR1B10AKR1B1MAOB
SCHEMBL20464162 0.90 PTGS2 (0.46) PTGS2AKR1B10AKR1B1CYP2D6MEN1
SCHEMBL20464157 0.89 PTGS2 (0.42) PTGS2THRBAKR1B10AKR1B1CYP2D6

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-20190285997-A1 IMAGE FORMING APPARATUS RICOH COMPANY, LTD. (JP) 2019-09-19 US disclosed