SCHEMBL5535341

SCHEMBL5535341

CNc1ccccc1.Cc1ccc(N)c(CC(O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 2/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A4 P31645 1/20 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
SCHEMBL33610 0.84 ALOX15 (0.46) TSHRNPC1RAB9ATP53CYP3A4
SCHEMBL9657678 0.73 CYP3A4 (0.46) TSHRNPC1RAB9AHDAC6TP53
SCHEMBL6369444 0.73 ALOX15 (0.45) TSHRNPC1RAB9ATP53CYP3A4
SCHEMBL28965537 0.71 ALDH1A1 (0.40) TSHRNPC1TP53CYP3A4THRB
SCHEMBL5147480 0.70 ALOX15 (0.42) TSHRNPC1RAB9ATP53CYP3A4
SCHEMBL28568152 0.70 NPC1 (0.55) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL12463289 0.68 ALOX15 (0.56) TSHRNPC1RAB9ATP53CYP3A4
SCHEMBL28883162 0.68 ALDH1A1 (0.44) TSHRCYP3A4THRBALOX15TDP1
SCHEMBL6570822 0.67 PRKCI (0.37) TSHRRAB9ACYP3A4THRBALOX15
Hydrochloric Acid SCHEMBL7394868 0.66 TDP1 (0.45) TSHRNPC1RAB9ATP53CYP3A4

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