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Sugi Predict / Compounds / SCHEMBL24337154

SCHEMBL24337154

SCHEMBL24337154

CC1C(=O)C(C#N)=CC2(C)C3=CC(=O)C4C(CCC5(C(=O)n6cnc(-c7cccc(C(F)(F)F)n7)c6)CCC(C)(C)CC45)C3(C)CCC12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 9/20 0.49
▸ MBOAT4 Q96T53 2/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ RORC P51449 9/20 0.38

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
SCHEMBL24337275 0.88 NOS2 (0.48) NOS2MBOAT4CCR6RORC
SCHEMBL24337355 0.87 NOS2 (0.49) NOS2MBOAT4CCR6RORC
SCHEMBL24337283 0.85 NOS2 (0.49) NOS2MBOAT4CCR6RORC
SCHEMBL24337278 0.84 NOS2 (0.51) NOS2MBOAT4CCR6RORC
SCHEMBL24337086 0.83 NOS2 (0.49) NOS2MBOAT4CCR6RORC
SCHEMBL21085439 0.80 NOS2 (0.57) NOS2MBOAT4CCR6RORC
SCHEMBL21573985 0.80 NOS2 (0.57) NOS2MBOAT4CCR6RORC
SCHEMBL24337084 0.80 NOS2 (0.42) NOS2RORC
SCHEMBL24389445 0.79 NOS2 (0.77) NOS2MBOAT4CCR6RORC
SCHEMBL24337270 0.78 NOS2 (0.54) NOS2MBOAT4CCR6RORC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022056439-A1 ANALOGS OF CDDO-2P-IM AND CDDO-3P-IM TRITERPENOID THERAPEUTICS, INC. (US) 2022-03-17 — — WO disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — US disclosed
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