SCHEMBL13477018

SCHEMBL13477018

CCC[C@@H]1CCCC(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
PPARG P37231 2/20 0.40
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2D6 P10635 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
PDE9A O76083 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
TP53 P04637 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
SCHEMBL310717 1.00 CYP1A2 (0.58) CYP1A2PPARGCA1CA9CYP2D6
SCHEMBL1930905 0.94 CYP1A2 (0.56) CYP1A2PPARGCA1CA9CYP2D6
SCHEMBL2818882 0.92 CYP1A2 (0.54) CYP1A2PPARGCA1CA9CYP2D6
SCHEMBL15658728 0.92 CYP1A2 (0.54) CYP1A2PPARGCA1CA9CYP2D6
SCHEMBL15658234 0.92 CYP1A2 (0.54) CYP1A2PPARGCA1CA9CYP2D6
SCHEMBL24667636 0.92 CYP1A2 (0.54) CYP1A2PPARGCA1CA9CYP2D6
SCHEMBL24668103 0.92 CYP1A2 (0.54) CYP1A2PPARGCA1CA9CYP2D6
SCHEMBL1301295 0.92 CYP1A2 (0.54) CYP1A2PPARGCA1CA9CYP2D6
SCHEMBL5998582 0.92 CYP1A2 (0.54) CYP1A2PPARGCA1CA9CYP2D6
SCHEMBL11099421 0.92 CYP1A2 (0.54) CYP1A2PPARGCA1CA9CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119486703-A Fragrance composition with lasting fragrance appearance 弗门尼舍有限公司 2025-02-18 CN claimed
CN-119486703-A Fragrance composition with lasting fragrance appearance 弗门尼舍有限公司 2025-02-18 CN disclosed
WO-2010019435-A2 SOLID STATES OF ATORVASTATIN POTASSIUM TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-02-18 WO disclosed