SCHEMBL6946111

SCHEMBL6946111

CCCCOC(=O)N(C)c1cccc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 4/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRM5 P41594 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL21993660 0.75 TP53 (0.39) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL13713493 0.74 OPRM1 (0.43) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL852406 0.74 PAX8 (0.42) RAB9ATSHRGRM5CYP3A4CYP1A2
SCHEMBL8761336 0.73 CHRNB2 (0.61) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL17882440 0.72 LMNA (0.43) SMN1; SMN2RAB9ALMNANPC1MAPT
Dibutyl Phthalate SCHEMBL8167118 0.72 TSHR (0.76) SMN1; SMN2LMNATP53HSD17B10TSHR
SCHEMBL15174120 0.72 RAB9A (0.43) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL20909909 0.72 RAB9A (0.43) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL11037713 0.71 NCEH1 (0.47) RAB9ALMNAMAPTHSD17B10L3MBTL1
SCHEMBL19477824 0.71 TSHR (0.41) SMN1; SMN2RAB9ALMNANPC1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed