SCHEMBL3881563

SCHEMBL3881563

[CH2]c1ccc(C)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.62
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ MAPT P10636 5/20 0.43
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL4 Q8NA19 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ CYP1A2 P05177 2/20 0.39

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
SCHEMBL2567242 0.81 ACHE (0.62) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL29403877 0.77 ACHE (1.00) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL12518 0.77 ACHE (1.00) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL126703 0.76 CA12 (0.62) ALDH1A1CYP3A4MAPTHPGDCYP2C9
Formaldehyde SCHEMBL28110221 0.76 ACHE (0.86) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL92174 0.75 ACHE (0.68) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL9938324 0.75 ACHE (0.68) ACHEALDH1A1CYP3A4MAPTL3MBTL1
Hydrochloric Acid SCHEMBL27523444 0.75 ACHE (0.95) ACHEALDH1A1CYP3A4MAPTL3MBTL1
Ammonia Solution, Strong SCHEMBL27765317 0.75 ACHE (0.95) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL30167567 0.75 ACHE (0.68) ACHEALDH1A1CYP3A4MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107206343-B Microcapsules imparting strong vanilla odor notes 弗门尼舍有限公司 2021-02-05 — — CN disclosed
EP-2010009-A2 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM Senomyx, Inc. (US) 2009-01-07 — — EP disclosed
WO-2007124152-A2 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM SENOMYX, INC. (US) 2007-11-01 — — WO disclosed
US-6140325-A HAS ENDOTHELIN ANTAGONISTIC ACTION; FOR TREATING LIVER HYPOFUNCTION, ACUTE RENAL INSUFFICIENCY, CARDIAC INFARCTION OR LIVER INSUFFICIENCY, VASOCONSTRICTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-31 — — US disclosed
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