SCHEMBL9163393

SCHEMBL9163393

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
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
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FDPS P14324 1/20 0.31
MAPK1 P28482 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
SCHEMBL28149765 0.86 TSHR (0.33) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL11142874 0.84 TSHR (0.42) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL28703 0.84
SCHEMBL28138198 0.83 TSHR (0.36) TSHRLMNA
SCHEMBL10595212 0.82 TSHR (0.47) TSHRLMNACHRM1AKR1A1CHRM3
Hydrochloric Acid SCHEMBL483386 0.81 TSHR (0.40) TSHRLMNACHRM1AKR1A1CHRM3
Methyl Alcohol SCHEMBL16781760 0.81 TSHR (0.40) TSHRLMNACHRM1AKR1A1CHRM3
Hydrochloric Acid SCHEMBL483390 0.81
Hydrochloric Acid SCHEMBL7217808 0.81
SCHEMBL10823107 0.81

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-5470924-A Phenol formaldehyde resins RYAN BARRY W (AU) 1995-11-28 US disclosed