SCHEMBL1009976

SCHEMBL1009976

COc1ccc(Nc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
PKM P14618 3/20 0.63
TP53 P04637 2/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
MAPT P10636 7/20 0.58
MAPK1 P28482 3/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
THRB P10828 1/20 0.57
RECQL P46063 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL24777901 0.84 ADRA2A (0.61) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1007796 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL30627606 0.80 PKM (0.54) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL745193 0.80 PKM (0.54) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL657416 0.79 KDM1A (0.62) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL19278336 0.78 APP (0.50) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL1008711 0.77 MAPT (0.55) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL12297526 0.77 PTGS2 (0.87) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1009963 0.77 TRPV1 (0.62) RAB9ASMN1; SMN2MAPTMAPK1TSHR
SCHEMBL21933254 0.76 MAPT (0.66) NPC1RAB9ASMN1; SMN2PKMNFKB1

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
EP-1801104-B1 Benzo[b]perhydroheterocyclic arylamines and lubricating oil compositions CHEVRON ORONITE CO (US) 2011-01-05 EP claimed
EP-1801104-B1 Benzo[b]perhydroheterocyclic arylamines and lubricating oil compositions CHEVRON ORONITE CO (US) 2011-01-05 EP disclosed