SCHEMBL20925764

SCHEMBL20925764

COC(=O)CCC12CCC3C(C(=O)C=C4C5(C)C=C(C#N)C(=O)CC5CCC43C)C1CC(C)(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 5/20 0.39
▸ NFE2L2 Q16236 2/20 0.39
▸ USP7 Q93009 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ NOS2 P35228 5/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CCR6 P51684 1/20 0.33

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
SCHEMBL20925786 1.00 MBOAT4 (0.39) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20925782 0.92 NOS2 (0.38) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20925790 0.91 NOS2 (0.40) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20925745 0.89 MBOAT4 (0.41) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20925854 0.89 NOS2 (0.36) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20925918 0.88 NOS2 (0.37) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20925774 0.88 MBOAT4 (0.37) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20925828 0.88 MBOAT4 (0.35) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20926039 0.87 NOS2 (0.37) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20925742 0.87 NOS2 (0.39) MBOAT4NFE2L2USP7USP2STAT3

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-2683731-B1 C4-MONOMETHYL TRITERPENOID DERIVATIVES AND METHODS OF USE THEREOF REATA PHARMACEUTICALS INC (US) 2019-04-24 — — EP disclosed
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