SCHEMBL29819084

SCHEMBL29819084

COc1cc(C)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.64
ACHE P22303 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
MEN1 O00255 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
TRPA1 O75762 2/20 0.54
TDP1 Q9NUW8 2/20 0.53
TRIM24 O15164 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
ALDH5A1 P51649 1/20 0.53
ABAT P80404 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 2/20 0.52
CA2 P00918 3/20 0.52
TSHR P16473 2/20 0.52
TYR P14679 1/20 0.52

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
SCHEMBL92236 1.00 MAOB (0.64) MAOBACHESLC22A6SLC22A8MEN1
SCHEMBL17629436 1.00 MAOB (0.64) MAOBACHESLC22A6SLC22A8MEN1
Ethane SCHEMBL28165560 0.98 MAOB (0.61) MAOBACHESLC22A6SLC22A8MEN1
Bromide SCHEMBL31123050 0.98 MAOB (0.61) MAOBACHESLC22A6SLC22A8MEN1
SCHEMBL27940951 0.98 MAOB (0.61) MAOBACHESLC22A6SLC22A8MEN1
Hydrochloric Acid SCHEMBL28958540 0.98 MAOB (0.61) MAOBACHESLC22A6SLC22A8MEN1
Hydrochloric Acid SCHEMBL27750408 0.96 MAOB (0.59) MAOBACHESLC22A6SLC22A8MEN1
SCHEMBL10802444 0.94 TRPA1 (0.67) MAOBACHESLC22A6SLC22A8MEN1
Formaldehyde SCHEMBL10355974 0.94 MAOB (0.57) MAOBACHESLC22A6SLC22A8MEN1
Acetic Acid SCHEMBL4091903 0.90 HTT (0.59) MAOBACHESLC22A6SLC22A8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4307920-A1 FLAVORING COMPOSITIONS Firmenich SA (CH) 2024-01-24 EP claimed
WO-2022194879-A1 FLAVORING COMPOSITIONS FIRMENICH SA (CH) 2022-09-22 WO claimed
US-20240196946-A1 METABOLICALLY MODIFIED VANILLA BEANS AND METHODS FOR PRODUCING SAME VANILLA TECHNOLOGIES LTD. (IL) 2024-06-20 US disclosed
EP-4307920-A1 FLAVORING COMPOSITIONS Firmenich SA (CH) 2024-01-24 EP disclosed
EP-4287847-A1 METABOLICALLY MODIFIED VANILLA BEANS AND METHODS FOR PRODUCING SAME Vanilla Technologies Ltd. (IL) 2023-12-13 EP disclosed
WO-2022194879-A1 FLAVORING COMPOSITIONS FIRMENICH SA (CH) 2022-09-22 WO disclosed
CN-114957146-A Trinuclear terbium complex and preparation method and application thereof 江苏大学 2022-08-30 CN disclosed
WO-2022168076-A1 METABOLICALLY MODIFIED VANILLA BEANS AND METHODS FOR PRODUCING SAME VANILLA TECHNOLOGIES LTD. (IL) 2022-08-11 WO disclosed