SCHEMBL28085689

SCHEMBL28085689

NCc1cc[c]c(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.49
LOXL2 Q9Y4K0 2/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP2 Q13822 1/20 0.39
ALOX5 P09917 1/20 0.39
IDO1 P14902 1/20 0.38
CFD P00746 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
F7 P08709 1/20 0.38
TPSB2 P20231 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
AGXT P21549 1/20 0.37

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
SCHEMBL28006547 0.85 CALM1 (0.41) MAOBGAAMAPTMAOARAB9A
SCHEMBL2093026 0.79 ALOX5 (0.53) MAOBGAAMAPTMAOARAB9A
SCHEMBL15474793 0.79 LMNA (0.47) MAOBSMN1; SMN2ALOX5LMNACYP1A2
SCHEMBL7468357 0.78 AGXT (0.43) MAOBALOX5IDO1MRGPRX4AGXT
SCHEMBL4315473 0.78 SLC6A4 (0.40) MAOBENPP2ALOX5PLAULMNA
SCHEMBL20577100 0.78 MAOB (0.53) MAOBGAAMAPTRAB9AALOX5
SCHEMBL7295428 0.78 L3MBTL1 (0.44) MAOBGAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL10743886 0.78 MAOB (0.40) MAOBMAOAL3MBTL1ALOX5LMNA
SCHEMBL5494255 0.76 MGLL (0.40) MAOB
SCHEMBL2202368 0.75 MAOB (0.58) MAOBMRGPRX4

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
CN-105849111-A Pyranochromenyl phenol derivative, and pharmaceutical composition for treating metabolic syndrome or inflammatory disease 依如睦生物科技株式会社 2016-08-10 CN disclosed