SCHEMBL6669109

SCHEMBL6669109

CC=C(Oc1ccc(Br)c(C)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
POLB P06746 3/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CHRNA3 P32297 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6667274 0.80 ELANE (0.42) MAPTTDP1L3MBTL1NPC1RAB9A
SCHEMBL6666273 0.78 CES2 (0.44) MAPTTDP1L3MBTL1NPC1RAB9A
SCHEMBL14523920 0.77 ELANE (0.44) MAPTTDP1L3MBTL1RAB9AKMT2A
SCHEMBL6662868 0.74 CES2 (0.53) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL6664127 0.73 MAPT (0.47) MAPTTDP1GAALMNA
SCHEMBL6667096 0.73 NPC1 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6664998 0.73 L3MBTL1 (0.44) MAPTTDP1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL1128842 0.72 HAO1 (0.50) MAPTTDP1L3MBTL1NPC1RAB9A
SCHEMBL6667106 0.71 MEN1 (0.37) MAPTL3MBTL1NPC1RAB9APOLB
SCHEMBL6663853 0.70 PPARG (0.41) MAPTTDP1L3MBTL1NPC1RAB9A

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-2004024684-A2 ENANTIOSELECTIVE AMINATION AND ETHERIFICATION YALE UNIVERSITY (US) 2004-03-25 WO disclosed