SCHEMBL25101526

SCHEMBL25101526

CCCC1CC(C)C(N)C(C)C1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.38
▸ NOS2 P35228 4/20 0.38
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ NOS3 P29474 2/20 0.34

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
SCHEMBL23547706 0.93 NOS1 (0.39) NOS1NOS2CA1CA2CA4
SCHEMBL434146 0.79 — —
SCHEMBL24862909 0.77 NOS1 (0.41) NOS1NOS2CA1CA2CA4
SCHEMBL27317894 0.71 NOS1 (0.32) NOS1NOS2CA1CA2CA4
SCHEMBL18828488 0.70 — —
SCHEMBL910154 0.70 — —
SCHEMBL21065528 0.70 NOS3 (0.34) NOS1NOS2NOS3
SCHEMBL20844321 0.70 ALOX5 (0.40) NOS1NOS2NOS3
SCHEMBL20324038 0.68 NOS1 (0.36) NOS1NOS2CA1CA2CA4
SCHEMBL26726956 0.68 CA1 (0.34) NOS1NOS2CA1CA2CA4

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-2023025655-A1 FILMS AND CAPSULES UNILEVER IP HOLDINGS B.V. (NL) 2023-03-02 — — WO disclosed
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