SCHEMBL10732529

SCHEMBL10732529

CCCCC(F)C/C=C(/O)[C@@H]1[C@H]2CC3(C[C@H]2C[C@H]1OC(=O)c1ccccc1)OCCO3

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.36
▸ BCHE P06276 1/20 0.35

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
SCHEMBL10732034 0.91 BCHE (0.35) KCNH2BCHE
SCHEMBL10735208 0.89 BCHE (0.35) KCNH2BCHE
SCHEMBL10727561 0.79 BCHE (0.35) KCNH2BCHE
SCHEMBL10729347 0.79 CHRNA7 (0.37) —
SCHEMBL10730683 0.77 BCHE (0.36) BCHE
SCHEMBL10730647 0.76 PPARG (0.39) BCHE
SCHEMBL11795334 0.76 KCNH2 (0.39) KCNH2BCHE
SCHEMBL10729081 0.75 RAB9A (0.48) BCHE
SCHEMBL10729428 0.74 BCHE (0.35) BCHE
SCHEMBL11291915 0.74 BCHE (0.39) BCHE

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-4692464-A Novel prostacyclin derivatives and a process for the preparation thereof SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-08 — — US disclosed
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