SCHEMBL8214280

SCHEMBL8214280

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
ALDH1A1 P00352 2/20 0.38
PTPN1 P18031 1/20 0.38
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3040379 0.87 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1PTPN1PPARG
SCHEMBL29104185 0.87 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1PTPN1PPARG
SCHEMBL3040382 0.87 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1PTPN1PPARG
SCHEMBL31509319 0.87 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1PTPN1PPARG
SCHEMBL16541029 0.86 PTPN1 (0.56) PTPN1PPARGPPARAMAPT
SCHEMBL31362257 0.83 ALDH1A1 (0.58) TAS1R3TAS1R1ALDH1A1PTPN1PPARG
(2E)-Hexenoic Acid SCHEMBL3048610 0.82 TSHR (0.50) TAS1R3TAS1R1PTPN1PPARGPPARA
(2E)-Hexenoic Acid SCHEMBL23614 0.82
SCHEMBL2128303 0.82 TAS1R3 (0.48) TAS1R3TAS1R1ALDH1A1PTPN1PPARG
SCHEMBL9069564 0.82 TAS1R3 (0.48) TAS1R3TAS1R1ALDH1A1PTPN1PPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100389781-C Use of pharmacy for feline ginseng volatile oil UNIV ZHEJIANG (CN) 2008-05-28 CN disclosed
CN-1895305-A Use of pharmacy for feline ginseng volatile oil UNIV ZHEJIANG (CN) 2007-01-17 CN disclosed
US-6113955-A ADDING ALCOHOL DEHYDROGENASE ENZYME WITH COFACTOR, ACID OR BASE; INCUBATION; CONTROLLING ODOR LIPTON, DIVISION OF CONOPO, INC. (US) 2000-09-05 US disclosed