SCHEMBL1614480

SCHEMBL1614480

CCCC(CO)C(C)CO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.48
METAP1 P53582 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
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

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
SCHEMBL3802372 0.89 TSHR (0.50) TSHRLMNAMETAP1TDP1ALDH1A1
SCHEMBL819111 0.86 LMNA (0.52) TSHRLMNAMETAP1TDP1ALDH1A1
SCHEMBL3093582 0.86 LMNA (0.52) TSHRLMNAMETAP1TDP1ALDH1A1
SCHEMBL1614491 0.84 ALDH1A1 (0.46) TSHRLMNAALDH1A1
SCHEMBL21879679 0.82 LMNA (0.50) TSHRLMNAALDH1A1
SCHEMBL7322881 0.82 TSHR (0.44) TSHRLMNAMETAP1TDP1ALDH1A1
SCHEMBL1614926 0.82 LMNA (0.57) TSHRLMNAMETAP1TDP1ALDH1A1
SCHEMBL27729667 0.80 LMNA (0.54) TSHRLMNAALDH1A1
SCHEMBL27723199 0.80 LMNA (0.54) TSHRLMNAALDH1A1
SCHEMBL14284905 0.80

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1196081-A Concentrated, water dispersible, stable, fabric softening compositions PROCTER & GAMBLE (US) 1998-10-14 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
US-20110086975-A1 COLORED GEL COAT COMPOSITION AND ARTICLE VALSPAR SOURCING, INC. 2011-04-14 US disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed
WO-1998017750-A1 CONCENTRATED, FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO disclosed