SCHEMBL27366480

SCHEMBL27366480

CC1(C)CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)C(C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 1.00
MBOAT4 Q96T53 4/20 1.00
CCR6 P51684 1/20 1.00
KEAP1 Q14145 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2C19 P33261 2/20 0.74
CYP2C9 P11712 1/20 0.74
NFE2L2 Q16236 2/20 0.71
USP7 Q93009 2/20 0.71
USP2 O75604 1/20 0.71
STAT3 P40763 1/20 0.71
RORC P51449 1/20 0.61

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
SCHEMBL17553226 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL91617 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL7717245 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL144428 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL2582911 1.00 NOS2 (1.00) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL25972866 0.93 NOS2 (0.86) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL3994632 0.88 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL3994634 0.88 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL20128433 0.88 NOS2 (0.80) NOS2MBOAT4CCR6KEAP1CYP3A4
SCHEMBL16526572 0.87 NOS2 (0.77) NOS2MBOAT4CCR6KEAP1CYP3A4

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-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