SCHEMBL8624733

SCHEMBL8624733

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.31
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
SCHEMBL271545 0.81
SCHEMBL10297565 0.81
SCHEMBL10297566 0.81
SCHEMBL28201185 0.77 LMNA (0.41) TSHRLMNA
SCHEMBL7049114 0.77 TSHR (0.36) TSHRLMNA
SCHEMBL28138198 0.77 TSHR (0.36) TSHRLMNA
SCHEMBL9163393 0.76 TSHR (0.35) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL3818495 0.76 TSHR (0.39) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL21462142 0.76 TSHR (0.39) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL16074672 0.75 TSHR (0.36) TSHRLMNACHRM1AKR1A1CHRM3

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
WO-1998055085-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS CODON PHARMACEUTICALS, INC. (US) 1998-12-10 WO disclosed