Sugi Predict

Sugi Predict / Compounds / SCHEMBL24337275

SCHEMBL24337275

SCHEMBL24337275

CC1C(=O)C(C#N)=CC2(C)C3=CC(=O)C4C(CCC5(C(=O)n6cnc(-c7ccc(C(F)(F)F)cn7)c6)CCC(C)(C)CC45)C3(C)CCC12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 6/20 0.48
▸ MBOAT4 Q96T53 4/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ RORC P51449 9/20 0.37
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ USP7 Q93009 1/20 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
SCHEMBL24337283 0.89 NOS2 (0.49) NOS2MBOAT4CCR6RORCCYP3A4
SCHEMBL24337154 0.88 NOS2 (0.49) NOS2MBOAT4CCR6RORC
SCHEMBL24337355 0.86 NOS2 (0.49) NOS2MBOAT4CCR6RORC
SCHEMBL24337278 0.85 NOS2 (0.51) NOS2MBOAT4CCR6RORC
SCHEMBL24337084 0.83 NOS2 (0.42) NOS2RORC
SCHEMBL24337086 0.82 NOS2 (0.49) NOS2MBOAT4CCR6RORC
SCHEMBL21573985 0.81 NOS2 (0.57) NOS2MBOAT4CCR6RORCCYP3A4
SCHEMBL21085439 0.81 NOS2 (0.57) NOS2MBOAT4CCR6RORCCYP3A4
SCHEMBL24389445 0.78 NOS2 (0.77) NOS2MBOAT4CCR6RORCCYP3A4
SCHEMBL21085388 0.78 NOS2 (0.51) NOS2MBOAT4CCR6RORCCYP3A4

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-2022056439-A1 ANALOGS OF CDDO-2P-IM AND CDDO-3P-IM TRITERPENOID THERAPEUTICS, INC. (US) 2022-03-17 — — WO disclosed
Send feedback