SCHEMBL28046098

SCHEMBL28046098

CCCC(O)C(CO)C(C(C)=O)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.35
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3240891 0.82 LMNA (0.37) LMNATSHRCHRM1AKR1A1CHRM3
SCHEMBL27760881 0.78 LMNA (0.50) LMNATSHRTDP1
SCHEMBL28778163 0.74 LMNA (0.37) LMNATSHRCHRM1AKR1A1CHRM3
SCHEMBL9132203 0.73 LMNA (0.50) LMNATSHRTDP1
SCHEMBL28258913 0.73 LMNA (0.38) LMNATSHRTDP1
SCHEMBL19433816 0.70 CHRM1 (0.46) LMNATSHRCHRM1AKR1A1CHRM3
SCHEMBL6577657 0.69 LMNA (0.56) LMNATSHRTDP1
SCHEMBL4060654 0.69 LMNA (0.39) LMNATSHRCHRM1AKR1A1CHRM3
SCHEMBL11154936 0.68 LMNA (0.50) LMNATSHRTDP1
SCHEMBL8932169 0.68 LMNA (0.36) LMNATSHRCHRM1AKR1A1CHRM3

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
CN-105229156-A For utilizing the method extracting fermentative production butanols BUTAMAX TM ADVANCED BIOFUELS 2016-01-06 CN disclosed