SCHEMBL29128959

SCHEMBL29128959

CCCC(OC)(OC)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
IDO1 P14902 1/20 0.38
TP53 P04637 1/20 0.37
AGXT P21549 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAOB P27338 1/20 0.36
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
CETP P11597 3/20 0.35
CYP3A4 P08684 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL8018357 0.82 TDP1 (0.46) TSHRALDH1A1MAOBMAPK1TDP1
SCHEMBL8561025 0.80 TSHR (0.39) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL14879821 0.78 TSHR (0.48) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL18525626 0.77 TSHR (0.43) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL14000911 0.77 TSHR (0.43) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL1614849 0.76 CETP (0.47) TSHRTP53ALDH1A1MAPK1TDP1
SCHEMBL1614607 0.76 CETP (0.47) TSHRTP53ALDH1A1MAPK1TDP1
SCHEMBL5551877 0.76 TSHR (0.41) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL11985625 0.74 TSHR (0.40) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL16587991 0.74 TSHR (0.40) TSHRIDO1TP53AGXTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115777905-A Juicy peach essence and preparation process thereof 埃德玛香精(杭州)有限公司 2023-03-14 CN claimed
CN-115836061-B Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2025-04-25 CN disclosed
CN-115003662-B Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2025-03-11 CN disclosed
CN-115777905-B Honey peach essence and preparation process thereof 埃德玛香精(杭州)有限公司 2024-02-13 CN disclosed
CN-111133086-B Composition comprising odorant 丝趣科尔卡有限公司 2023-09-05 CN disclosed
CN-115777905-A Juicy peach essence and preparation process thereof 埃德玛香精(杭州)有限公司 2023-03-14 CN disclosed
CN-115777905-A Juicy peach essence and preparation process thereof 埃德玛香精(杭州)有限公司 2023-03-14 CN disclosed