SCHEMBL11913664

SCHEMBL11913664

C[C@]1(OCC(=O)O)CC/C=C/CCC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 1/20 0.31
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL11913649 1.00 PTGDR (0.31) PTGDRPTGDR2
SCHEMBL31213026 0.83 CYP1A2 (0.38) PTGDRPTGDR2
SCHEMBL18074854 0.83 TSHR (0.33) PTGDRPTGDR2
SCHEMBL31213025 0.81 CYP1A2 (0.41) PTGDRPTGDR2
SCHEMBL9006788 0.77 CYP19A1 (0.34) —
SCHEMBL9006780 0.77 CYP19A1 (0.34) —
SCHEMBL9006783 0.74 CYP19A1 (0.35) —
SCHEMBL9006771 0.74 CYP19A1 (0.35) —
SCHEMBL3675764 0.73 CYP19A1 (0.34) —
SCHEMBL3675761 0.73 CYP19A1 (0.34) —

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-8236949-B2 Tetrazine-based bio-orthogonal coupling reagents and methods UNIVERSITY OF DELAWARE (US) 2012-08-07 — — US disclosed
Send feedback