SCHEMBL9720362

SCHEMBL9720362

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.41
HPGD P15428 1/20 0.40
THRB P10828 3/20 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
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
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

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
SCHEMBL465670 0.88 TSHR (0.44) TSHRHPGDTHRB
SCHEMBL23494246 0.87 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28391986 0.86 TSHR (0.43) TSHRHPGD
SCHEMBL28195499 0.86 TSHR (0.43) TSHRHPGD
SCHEMBL23174693 0.85 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5373230 0.85 TSHR (0.44) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL23493896 0.84 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL26841668 0.83 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
Phosphoric Acid SCHEMBL21612159 0.82 PTPN1 (0.40) TSHRHPGDTHRB
SCHEMBL1405779 0.82 TSHR (0.47) TSHRHPGDTHRBALDH1A1TP53

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-5095054-A Molding premixes of a melt of a degraded starch and hydrophobic water-insoluble thermoplastic polymer; dimensional stability; toughness; humidity resistance; receptivity WARNER-LAMBERT COMPANY (US) 1992-03-10 US disclosed