SCHEMBL806368

SCHEMBL806368

COc1ccc(N(c2ccc(C)cc2)c2ccc(Oc3ccc(N(c4ccc(CO)cc4)c4ccc(CO)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
ACHE P22303 1/20 0.47
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 1/20 0.42
NPBWR1 P48145 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSPO P30536 1/20 0.40
LMNA P02545 2/20 0.40
RNF4 P78317 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
OPRM1 P35372 1/20 0.40
RELA Q04206 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL19888139 0.95 ACHE (0.52) ACHECNR1CNR2MAPTSMN1; SMN2
SCHEMBL19888131 0.95 ACHE (0.52) ACHECNR1CNR2MAPTSMN1; SMN2
SCHEMBL12593370 0.95 ACHE (0.52) ACHECNR1CNR2MAPTSMN1; SMN2
SCHEMBL10062374 0.94 LTA4H (0.53) LTA4HRNF4
SCHEMBL13883995 0.91 ACHE (0.47) ACHECNR1CNR2MAPTSMN1; SMN2
SCHEMBL13236086 0.91 ACHE (0.47) ACHECNR1CNR2MAPTSMN1; SMN2
SCHEMBL12680473 0.91 ACHE (0.47) ACHECNR1CNR2MAPTSMN1; SMN2
SCHEMBL806274 0.91 LTA4H (0.47) LTA4HACHECNR1CNR2MAPT
SCHEMBL10062238 0.88 IDO1 (0.47) LTA4HSMN1; SMN2ALDH1A1
SCHEMBL12732320 0.88 IDO1 (0.47) LTA4HSMN1; SMN2ALDH1A1

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
WO-2012036295-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2012-03-22 WO disclosed