SCHEMBL21573991

SCHEMBL21573991

CC1CCC2(C)CCC3C(C(=O)C=C4C5(C)C=C(C#N)C(=O)C(C)C5CCC43C)C2C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 11/20 0.40
▸ NOS2 P35228 8/20 0.38
▸ IDH1 O75874 1/20 0.35

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
SCHEMBL20826204 0.87 NOS2 (0.39) RORCNOS2IDH1
SCHEMBL23098147 0.84 RORC (0.37) RORCNOS2IDH1
SCHEMBL24035554 0.80 NOS2 (0.37) RORCNOS2
SCHEMBL21085449 0.80 NOS2 (0.38) RORCNOS2
SCHEMBL21573981 0.80 NOS2 (0.38) RORCNOS2
SCHEMBL20925572 0.78 MBOAT4 (0.39) RORCNOS2
SCHEMBL21085388 0.78 NOS2 (0.51) RORCNOS2
SCHEMBL20925551 0.77 MBOAT4 (0.38) RORCNOS2
SCHEMBL23098217 0.77 NOS2 (0.40) RORCNOS2
SCHEMBL23098149 0.76 NOS2 (0.41) RORCNOS2

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-2558105-B1 BARDOXOLONE METHYL FOR THE TREATMENT OF OBESITY REATA PHARMACEUTICALS INC (US) 2019-11-20 — — EP disclosed
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