SCHEMBL29970313

SCHEMBL29970313

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
PPARG P37231 1/20 0.32
PTPN1 P18031 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
SCHEMBL29969969 0.81 TAS1R3 (0.30) TAS1R3TAS1R1
SCHEMBL30846740 0.74 PPARG (0.30) PPARG
SCHEMBL29968566 0.70 F7 (0.35) PPARGPTPN1
(2E)-Hexenoic Acid SCHEMBL27373174 0.66 TSHR (0.50) TAS1R3TAS1R1PPARGPTPN1
(2E)-Hexenoic Acid SCHEMBL23615 0.66
(2Z)-Hexenoic Acid SCHEMBL3504637 0.66
(2E)-Hexenoic Acid SCHEMBL3048610 0.66 TSHR (0.50) TAS1R3TAS1R1PPARGPTPN1
(2E)-Hexenoic Acid SCHEMBL23614 0.66
(2E)-Hexenoic Acid SCHEMBL29006108 0.65 TSHR (0.44) TAS1R3TAS1R1PPARGPTPN1
(2E)-Hexenoic Acid SCHEMBL17633240 0.65 TSHR (0.48) TAS1R3TAS1R1PPARGPTPN1

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-2022191638-A1 LIPOXYGENASE-BASED RECOMBINANT MICROORGANISMS, AND METHOD FOR PREPARING HYDROXY FATTY ACIDS AND SECONDARY FATTY ALCOHOLS USING SAME 이화여자대학교 산학협력단 2022-09-15 WO claimed