SCHEMBL11082053

SCHEMBL11082053

C#CC(Oc1ccc(C)cc1C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.35
SCN4A P35499 1/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
TSHR P16473 4/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CYP1A2 P05177 3/20 0.33

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
SCHEMBL27981604 0.84 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTSCN4ASLC6A2
SCHEMBL11085629 0.83 SLC6A2 (0.46) L3MBTL1SCN4ASLC6A2SLC6A4SLC6A3
SCHEMBL11079404 0.77 NPSR1 (0.40) ALDH1A1TSHRHPGDLMNASMN1; SMN2
SCHEMBL3294324 0.73 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTSCN4ASLC6A2
SCHEMBL1199860 0.73 L3MBTL1 (0.38) L3MBTL1ALDH1A1MAPTSCN4ASLC6A2
SCHEMBL14169735 0.71 SLC6A4 (0.51) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL14169923 0.71 SLC6A2 (0.51) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL13042194 0.71 SLC6A2 (0.51) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL28307068 0.70 SLC6A4 (0.38) SCN4ASLC6A4TSHRCHRM1ADRA2B
SCHEMBL3466564 0.68 ACHE (0.43) L3MBTL1ALDH1A1MAPTTSHRHPGD

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
US-4467102-A RACEMIC MODIFICATION WITH BRUCINE UBE INDUSTRIES, LTD. (JP) 1984-08-21 US disclosed