SCHEMBL31357666

SCHEMBL31357666

CCOC(=O)C(C)(C)Oc1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.61
▸ PPARG P37231 4/20 0.61
▸ FBP1 P09467 9/20 0.57
▸ ABCB11 O95342 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ GRM2 Q14416 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAOB P27338 1/20 0.40

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
SCHEMBL421202 1.00 PPARA (0.61) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL197882 0.85 PPARA (0.64) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL20730087 0.85 PPARA (0.64) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL23134009 0.85 PPARA (0.45) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL12670824 0.84 PPARA (0.62) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL2916587 0.83 CYP1A2 (0.49) PPARAPPARGFBP1CYP1A2CYP3A4
SCHEMBL6091395 0.83 PPARA (0.69) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL4422408 0.82 PPARA (0.68) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL7988059 0.82 PPARA (0.61) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL655568 0.82 PPARA (0.61) PPARAPPARGFBP1ABCB11CYP1A2

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
CN-114846013-B Novel aminoaryl derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2024-12-20 — — CN disclosed
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