SCHEMBL9686979

SCHEMBL9686979

CCCC#CCC1(C(=O)/C=C/[C@@H]2[C@H]3CC4(C[C@H]3C[C@H]2OC(=O)c2ccccc2)OCCO4)CCC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 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
SCHEMBL9688150 0.91 CHRM2 (0.31) —
SCHEMBL9689128 0.87 — —
SCHEMBL9687042 0.86 CHRM2 (0.30) —
SCHEMBL9687097 0.85 CHRM2 (0.32) —
SCHEMBL9687637 0.84 BCHE (0.31) BCHE
SCHEMBL9687630 0.84 BCHE (0.31) BCHE
SCHEMBL9732020 0.80 — —
SCHEMBL9689011 0.80 CHRM2 (0.31) BCHE
SCHEMBL9732018 0.80 — —
SCHEMBL11291915 0.78 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-5124343-A Carbacyclins, process for the preparation thereof, and use thereof as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1992-06-23 — — US disclosed
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