SCHEMBL4730574

SCHEMBL4730574

CCC(C(=O)c1ccc(C)cc1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.59
SLC6A2 P23975 7/20 0.59
SLC6A4 P31645 4/20 0.59
RAB9A P51151 2/20 0.50
TP53 P04637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2D6 P10635 1/20 0.49
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3426081 0.87 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4RAB9ATP53
SCHEMBL11946056 0.87 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL501353 0.87 HSD17B10 (0.61) SLC6A3SLC6A2SLC6A4RAB9AL3MBTL1
SCHEMBL17043265 0.86 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4
SCHEMBL15162038 0.86 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL15162052 0.85 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL381975 0.85 TSHR (0.52) SLC6A3SLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL5813245 0.80 RAB9A (0.53) SLC6A3SLC6A2SLC6A4RAB9ATP53
SCHEMBL30419781 0.77 NPC1 (0.58) RAB9ATP53L3MBTL1NPC1ALDH1A1
Pyrovalerone SCHEMBL4930605 0.75 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4

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-2008062920-A1 COMPOSITION OF PASTE FOR FABRICATING ELECTRODE AND PLASMA DISPLAY PANEL INCLUDING THE ELECTRODE CHEIL INDUSTRIES INC. (KR) 2008-05-29 WO disclosed