SCHEMBL20844321

SCHEMBL20844321

CCCCCC1CC(C)C1N

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.40
▸ NOS1 P29475 4/20 0.39
▸ NOS2 P35228 4/20 0.39
▸ NOS3 P29474 3/20 0.39
▸ SPHK1 Q9NYA1 6/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ SPHK2 Q9NRA0 3/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ FUCA1 P04066 1/20 0.32
▸ GBA1 P04062 3/20 0.32

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
SCHEMBL20816002 0.80 CYP1A2 (0.32) NOS1NOS2NOS3
SCHEMBL176362 0.79 — —
SCHEMBL20816017 0.77 ALOX5 (0.39) ALOX5NOS1NOS2NOS3SPHK1
SCHEMBL2877408 0.77 — —
SCHEMBL462038 0.77 — —
SCHEMBL1573174 0.77 ALOX5 (0.50) ALOX5NOS1NOS2NOS3ALDH1A1
SCHEMBL462039 0.77 — —
SCHEMBL21746023 0.77 — —
SCHEMBL1437889 0.77 ALOX5 (0.50) ALOX5NOS1NOS2NOS3ALDH1A1
SCHEMBL4557504 0.77 ALOX5 (0.50) ALOX5NOS1NOS2NOS3ALDH1A1

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-2861044-B1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE JOLED INC (JP) 2019-03-27 — — EP disclosed
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