SCHEMBL5197316

SCHEMBL5197316

CC(C)C(=O)O.CC(C)C(=O)O.CCCC(C)(O)C(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.34
ADRA1A P35348 2/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
FDPS P14324 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HMGCR P04035 1/20 0.31
TBXA2R P21731 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
SCHEMBL5586386 0.81 ALDH1A1 (0.39) FDPSALDH1A1LMNAHSD17B10
SCHEMBL393486 0.78 CHRM1 (0.34) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL201294 0.78 CHRM1 (0.34) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL28206327 0.74 CA2 (0.43) CA2MAPK1
SCHEMBL28084857 0.71 CA2 (0.45) CA2MAPK1
SCHEMBL671801 0.71 LMNA (0.37) ADRA1ATDP1FDPSLMNAHSD17B10
SCHEMBL27558141 0.71 TDP1 (0.47) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL29134691 0.70 TSHR (0.36) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL2823350 0.69 ALDH1A1 (0.44) TDP1FDPSALDH1A1LMNAHSD17B10
SCHEMBL9718417 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611192-A4 JOINT FILL COMPOSITION AND METHOD BAYSYSTEMS NORTH AMERICA LLC (US) 2007-12-05 EP disclosed
EP-1611192-A2 JOINT FILL COMPOSITION AND METHOD Polythane Systems, Inc. (US) 2006-01-04 EP disclosed
WO-2004081438-A3 JOINT FILL COMPOSITION AND METHOD POLYTHANE SYSTEMS INC (US) 2004-11-11 WO disclosed
WO-2004081438-A2 JOINT FILL COMPOSITION AND METHOD POLYTHANE SYSTEMS, INC. (US) 2004-09-23 WO disclosed