SCHEMBL7716045

SCHEMBL7716045

CC1(C)CC[C@]2(C(=O)NCC(F)(F)F)CC[C@]3(C)C(C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)C5CC[C@]43C)C2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 4/20 1.00
NOS2 P35228 9/20 0.75
KEAP1 Q14145 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP2C19 P33261 2/20 0.75
CYP2C9 P11712 1/20 0.75
NFE2L2 Q16236 3/20 0.74
USP7 Q93009 2/20 0.74
USP2 O75604 1/20 0.74
STAT3 P40763 1/20 0.74
CCR6 P51684 1/20 0.65
RORC P51449 1/20 0.64

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
SCHEMBL19635897 1.00 MBOAT4 (1.00) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL15469127 1.00 MBOAT4 (1.00) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL10078968 1.00 MBOAT4 (1.00) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL18682368 0.93 MBOAT4 (0.88) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL18682396 0.93 MBOAT4 (0.88) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL18682607 0.93 MBOAT4 (0.88) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL18682612 0.93 MBOAT4 (0.88) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL20983761 0.92 MBOAT4 (0.85) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL21022372 0.92 MBOAT4 (0.85) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL18682395 0.92 MBOAT4 (0.85) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353190-B1 C4-MODIFIED OLEANOLIC ACID DERIVATIVES FOR INHIBITION OF IL-17 AND OTHER USES REATA PHARMACEUTICALS INC (US) 2021-03-17 EP disclosed
WO-2011130302-A2 METHOD OF TREATING OBESITY USING ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. (US) 2011-10-20 WO disclosed
WO-2010053817-A1 BETULINIC ACID DERIVATIVES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-05-14 WO disclosed
WO-2009129546-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 REATA PHARMACEUTICALS, INC. (US) 2009-10-22 WO disclosed
WO-2009089545-A1 SYNTHETIC TRITERPENOIDS AND METHODS OF USE IN THE TREATMENT OF DISEASE REATA PHARMACEUTICALS, INC. (US) 2009-07-16 WO disclosed