SCHEMBL5535344

SCHEMBL5535344

CN(C)c1ccccc1.Cc1ccc(NCC(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 7/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 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
SCHEMBL33609 0.83 MAPT (0.56) HTTALDH1A1MAPTHPGDPOLB
Hydrochloric Acid SCHEMBL29018535 0.81 MAPT (0.54) HTTALDH1A1MAPTHPGDPOLB
SCHEMBL168120 0.75 MAPT (0.57) HTTALDH1A1MAPTLMNAL3MBTL1
SCHEMBL2956436 0.75 MAPT (0.47) HTTALDH1A1TSHRMAPTHPGD
SCHEMBL463095 0.73 ALDH1A1 (0.67) HTTALDH1A1MAPTLMNAL3MBTL1
SCHEMBL18415609 0.73 ALDH1A1 (0.67) HTTALDH1A1MAPTLMNAL3MBTL1
SCHEMBL23295124 0.73 ALDH1A1 (0.79) ALDH1A1TSHRMAPTHPGDLMNA
Toluene SCHEMBL28313052 0.71 ALDH1A1 (0.65) HTTALDH1A1TSHRHPGDLMNA
SCHEMBL28335675 0.70 MAPT (0.67) HTTALDH1A1MAPTL3MBTL1
SCHEMBL22622594 0.70 MAPT (0.54) HTTALDH1A1MAPTHPGDPOLB

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
US-7220380-B2 System and method for fabricating a three-dimensional metal object using solid free-form fabrication HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-05-22 US claimed
US-20050079086-A1 System and method for fabricating a three-dimensional metal object using solid free-form fabrication HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-04-14 US claimed