SCHEMBL8533015

SCHEMBL8533015

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FDPS P14324 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
SCHEMBL13211753 0.82 METAP1 (0.39) METAP1TSHRLMNACHRM1AKR1A1
SCHEMBL2146891 0.82 METAP1 (0.39) METAP1TSHRLMNACHRM1AKR1A1
SCHEMBL13887755 0.82 METAP1 (0.39) METAP1TSHRLMNACHRM1AKR1A1
SCHEMBL10927344 0.81
SCHEMBL15188474 0.81
SCHEMBL425153 0.81
SCHEMBL23521344 0.80 TSHR (0.40) METAP1TSHRLMNACHRM1AKR1A1
SCHEMBL13295557 0.78 SPHK1 (0.38) METAP1TSHRSPHK1FDPS
SCHEMBL4235679 0.77 LMNA (0.44) METAP1TSHRLMNACHRM1AKR1A1
SCHEMBL16074671 0.77 THRB (0.36) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed
WO-1998017756-A1 CONCENTRATED FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed