SCHEMBL28009889

SCHEMBL28009889

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
PTPN1 P18031 3/20 0.41
PPARA Q07869 3/20 0.38
ALDH1A1 P00352 2/20 0.36
PPARG P37231 3/20 0.35
FASN P49327 1/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL380479 1.00
SCHEMBL380478 1.00
SCHEMBL872905 1.00
SCHEMBL10690892 0.97
SCHEMBL10366501 0.95 PPARA (0.44) TAS1R3TAS1R1PTPN1PPARAMAPT
SCHEMBL10366503 0.95 PPARA (0.44) TAS1R3TAS1R1PTPN1PPARAMAPT
Hydrochloric Acid SCHEMBL8018515 0.95 TAS1R3 (0.44) TAS1R3TAS1R1PTPN1PPARAALDH1A1
Hydrochloric Acid SCHEMBL8925660 0.95 TAS1R3 (0.44) TAS1R3TAS1R1PTPN1PPARAALDH1A1
Hydrochloric Acid SCHEMBL29469612 0.93 PPARA (0.42) TAS1R3TAS1R1PTPN1PPARAMAPT
SCHEMBL8400754 0.91 TAS1R3 (0.41) TAS1R3TAS1R1PTPN1PPARAALDH1A1

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-104569189-A Method for detecting urine sugar contained in mouse urine using electronic nose UNIV CHINA PHARMA 2015-04-29 CN disclosed