SCHEMBL11017052

SCHEMBL11017052

CCCC1CC(C)[CH]CC1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 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
SCHEMBL910154 0.75 — —
SCHEMBL18828488 0.75 — —
Hydrogen Sulfide SCHEMBL5678855 0.73 — —
SCHEMBL10492268 0.73 — —
Propane SCHEMBL9790644 0.69 CA1 (0.36) NOS1NOS2CA1CA2CA4
SCHEMBL11697489 0.68 — —
SCHEMBL1067391 0.68 — —
SCHEMBL911057 0.67 — —
SCHEMBL13980885 0.65 — —
SCHEMBL13478090 0.65 — —

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
EP-0153858-A2 The therapeutic use of prostaglandins THE UPJOHN COMPANY (US) 1985-09-04 — — EP disclosed
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