SCHEMBL20750767

SCHEMBL20750767

CCNC(=O)C12CCC3C(C(=O)C=C4C5(C)C=C(C#N)C(=O)C(C)(C)C5CCC43C)C1CC(C)(C)CC2

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 4/20 0.73
▸ NOS2 P35228 8/20 0.56
▸ KEAP1 Q14145 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ NFE2L2 Q16236 3/20 0.56
▸ USP7 Q93009 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ STAT3 P40763 1/20 0.56
▸ CCR6 P51684 1/20 0.49
▸ RORC P51449 1/20 0.48

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
SCHEMBL22428591 1.00 MBOAT4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL23544236 1.00 MBOAT4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL22293723 1.00 MBOAT4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL21022618 1.00 MBOAT4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL21022891 0.93 MBOAT4 (0.63) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL21022355 0.92 MBOAT4 (0.61) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL22428639 0.91 MBOAT4 (0.60) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL25703400 0.91 MBOAT4 (0.60) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL21022533 0.91 MBOAT4 (0.74) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL24917451 0.88 NOS2 (0.70) MBOAT4NOS2KEAP1CYP3A4CYP2C19

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-2024145502-A1 SYNTHETIC TRITERPENOIDS AND COMPOSITIONS THEREOF IN WEIGHT MANAGEMENT, SKELETAL MUSCLE FUNCTION, AND APPETITE SUPPRESSION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-04 — — WO disclosed
EP-3444261-A1 2,2-DIFLUOROPROPIONAMIDE DERIVATIVE OF BARDOXOLONE METHYL, PHARMACEUTICAL COMPOSITIONS AND POLYMORPHS THEREOF FOR USE IN TREATING CERTAIN CONDITIONS Reata Pharmaceuticals, Inc. (US) 2019-02-20 — — EP disclosed
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