SCHEMBL13655846

SCHEMBL13655846

CCCC(CC)CNC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PAOX Q6QHF9 1/20 0.36
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL13950295 0.91 PAOX (0.39) TSHRHTTLMNAMAPK1CYP3A4
SCHEMBL14397158 0.91 PAOX (0.39) TSHRHTTLMNAMAPK1CYP3A4
SCHEMBL2105851 0.88 TSHR (0.57) TSHRHTTLMNAMAPK1CYP3A4
SCHEMBL18638052 0.88 TSHR (0.57) TSHRHTTLMNAMAPK1CYP3A4
SCHEMBL8436259 0.86 MAPK1 (0.40) TSHRHTTLMNAMAPK1ALDH1A1
SCHEMBL9884583 0.86 MAPK1 (0.40) TSHRHTTLMNAMAPK1ALDH1A1
SCHEMBL13810733 0.85 ALDH1A1 (0.35) TSHRLMNAMAPK1CYP3A4ALDH1A1
SCHEMBL17485794 0.84 TSHR (0.48) TSHRHTTLMNAMAPK1CYP3A4
SCHEMBL15492738 0.83 PAOX (0.34) TSHRHTTLMNAMAPK1CYP3A4
SCHEMBL11086397 0.83 CYP2D6 (0.48) TSHRHTTLMNAMAPK1CYP3A4

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-20090247738-A1 BIOCOMPATIBLE POLY-BETA-1-4-N-ACETYLGLUCOSAMINE MARINE POLYMER TECHNOLOGIES, INC. 2009-10-01 US disclosed