SCHEMBL24035894

SCHEMBL24035894

CONC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)[C@@H](C)C4CC[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 4/20 0.62
▸ NFE2L2 Q16236 3/20 0.62
▸ USP7 Q93009 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ STAT3 P40763 1/20 0.62
▸ RORC P51449 2/20 0.61
▸ NOS2 P35228 9/20 0.58
▸ KEAP1 Q14145 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ CCR6 P51684 1/20 0.51

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
SCHEMBL12686557 1.00 MBOAT4 (0.62) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL22964816 0.92 MBOAT4 (0.63) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL12686536 0.91 MBOAT4 (0.64) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20925982 0.91 MBOAT4 (0.64) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL12968336 0.91 MBOAT4 (0.74) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL23098160 0.91 MBOAT4 (0.74) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL24035079 0.91 MBOAT4 (0.64) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL24512222 0.91 MBOAT4 (0.74) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL18682648 0.91 MBOAT4 (0.74) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL12686496 0.91 MBOAT4 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022126129-A1 SYNTHETIC TRITERPENOIDS FOR USE IN THERAPY REATA PHARMACEUTICALS, INC. (US) 2022-06-16 — — WO disclosed
WO-2021231208-A1 METHODS OF TREATING COVID-19 USING BARDOXOLONE METHYL OR ANALOGS THEREOF REATA PHARMACEUTICALS, INC. (US) 2021-11-18 — — WO disclosed
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