SCHEMBL17257935

SCHEMBL17257935

CCC(CC)C(Cc1ccc(C(=O)C(C)(C)C)cc1Br)(C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ HPGD P15428 1/20 0.31

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
SCHEMBL17257934 0.87 PKM (0.35) HPGD
SCHEMBL15822495 0.81 PPARG (0.32) PPARGPPARARIPK1HPGD
SCHEMBL15822482 0.74 ALDH1A1 (0.35) PPARGPPARARIPK1HPGD
SCHEMBL15840430 0.74 MMP8 (0.40) PPARAHPGD
SCHEMBL20018381 0.74 MAPT (0.36) PPARGPPARAHPGD
SCHEMBL15823061 0.73 ELANE (0.45) PPARGPPARA
SCHEMBL23682722 0.69 ALDH1A1 (0.38) HPGD
SCHEMBL15822946 0.68 PKM (0.39) —
SCHEMBL15840459 0.66 HPGD (0.53) HPGD
SCHEMBL28030624 0.65 ALDH1A1 (0.37) HPGD

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
US-20150329653-A1 CATALYST BOREALIS AG (AT) 2015-11-19 — — US disclosed
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