SCHEMBL7749075

SCHEMBL7749075

CCC/C=C/C(=O)[C@](N)(CS)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
PTPN1 P18031 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL30895615 0.70 SMN1; SMN2 (0.32)
SCHEMBL16117665 0.69 TAS1R3 (0.42) TAS1R3TAS1R1PTPN1
(2E)-Hexenoic Acid SCHEMBL23614 0.68
(2E)-Hexenoic Acid SCHEMBL23615 0.68
(2E)-Hexenoic Acid SCHEMBL3048610 0.68 TSHR (0.50) TAS1R3TAS1R1PTPN1HCAR2
(2Z)-Hexenoic Acid SCHEMBL3504637 0.68
(2E)-Hexenoic Acid SCHEMBL27373174 0.68 TSHR (0.50) TAS1R3TAS1R1PTPN1HCAR2
SCHEMBL9358651 0.67 TAS1R3 (0.41) TAS1R3TAS1R1
SCHEMBL6234997 0.67 NOS1 (0.34) HCAR2
SCHEMBL766734 0.66 SMN1; SMN2 (0.35)

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-2001035768-A1 FLAVOR FRESHNESS ENHANCERS J.MANHEIMER, INC. (US) 2001-05-25 WO disclosed