SCHEMBL8154263

SCHEMBL8154263

CCCC(O)N(C(C)O)C(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
LMNA P02545 1/20 0.32
SPHK1 Q9NYA1 2/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8219047 0.94 TSHR (0.38) TSHRHDAC7HDAC8HDAC6HDAC9
SCHEMBL588488 0.85 TSHR (0.36) TSHRHDAC7HDAC8HDAC6HDAC9
SCHEMBL2242807 0.83 TSHR (0.38) TSHRLMNASPHK1CHRM1AKR1A1
SCHEMBL3167288 0.83 TSHR (0.38) TSHRLMNASPHK1CHRM1AKR1A1
SCHEMBL28308657 0.81 TSHR (0.36) TSHRLMNASPHK1
SCHEMBL23736364 0.79 TSHR (0.36) TSHRLMNASPHK1
Boric Acid SCHEMBL9187098 0.78 LMNA (0.32) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL4179037 0.78 THRB (0.35) TDP1
SCHEMBL8218781 0.78 LMNA (0.37) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL827926 0.77 TSHR (0.44) TSHRTDP1

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-6099588-A IN A SODIUM HYDROXIDE, POTASSIUM HYDROXIDE, CALCIUM HYDROXIDE OR AMMONIUM HYDROXIDE ALKALI-CONTAINING ALCOHOL SOLUTION FOLLOWED BY A PROTEASE CONTAINING AQUEOUS SOLUTION; IMPROVED SHRINK RESISTANCE NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) 2000-08-08 US disclosed