SCHEMBL27367230

SCHEMBL27367230

Cc1ccc2cc(C(O)CC(=O)OC(C)(C)C)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2A6 P11509 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AOC3 Q16853 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL27367215 0.81 AOC3 (0.36) CYP1A2CYP2D6MEN1TSHRKMT2A
SCHEMBL8770867 0.78 ALDH1A1 (0.42)
SCHEMBL8770874 0.77 APP (0.42) CYP2D6
SCHEMBL8770886 0.77 L3MBTL1 (0.38) CYP2D6HIF1AL3MBTL1
SCHEMBL12600107 0.77 PRMT3 (0.35) CYP2D6HIF1ACYP2A6
SCHEMBL8770891 0.76 MTNR1A (0.50) CYP1A2TSHRKMT2AHIF1AL3MBTL1
SCHEMBL16811746 0.75 APP (0.49) CYP1A2TSHRL3MBTL1CYP2C9
SCHEMBL8770863 0.75 L3MBTL1 (0.66) L3MBTL1AOC3
SCHEMBL8770922 0.75 AOC3 (0.42) CYP1A2CYP2D6MEN1TSHRKMT2A
SCHEMBL8770937 0.75 AOC3 (0.42) CYP2D6AOC3

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-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed