SCHEMBL8961983

SCHEMBL8961983

C=CC(=O)OC(CCC)OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.40
HPGD P15428 1/20 0.40
CHRM1 P11229 1/20 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
ADRA1A P35348 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
THRB P10828 4/20 0.34
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL544590 0.92 TSHR (0.45) TSHRHPGDCHRM1AKR1A1CHRM3
SCHEMBL8961961 0.87 TSHR (0.41) TSHRHPGDCHRM1AKR1A1CHRM3
SCHEMBL27813096 0.85 TSHR (0.40) TSHRHPGDCHRM1AKR1A1CHRM3
SCHEMBL29602658 0.84 HDAC1 (0.46) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL13924332 0.84 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL343822 0.84 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL153584 0.83 TSHR (0.41) TSHRHPGDCHRM1AKR1A1CHRM3
SCHEMBL26093289 0.82 ALDH1A1 (0.36) TSHRHPGDSLC6A3HDAC1HDAC2
SCHEMBL8962107 0.81 TSHR (0.44) TSHRHPGDCHRM1AKR1A1CHRM3
SCHEMBL1507509 0.81 TSHR (0.40) TSHRHPGDCHRM1AKR1A1CHRM3

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-5488089-A Curable resin composition KANSAI PAINT CO., LTD. (JP) 1996-01-30 US disclosed