SCHEMBL20975606

SCHEMBL20975606

CC1(C=O)Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
HTR2A P28223 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL12203619 0.86 ADRA2A (0.38) NOTUMHTR2A
SCHEMBL16245885 0.77 ALDH1A1 (0.37) HTT
SCHEMBL30834242 0.77 ALDH1A1 (0.37) HTT
SCHEMBL7035762 0.77 OXTR (0.34) LMNAHTT
SCHEMBL29232865 0.74 HTT (0.40) HTT
SCHEMBL16245881 0.73 HPGD (0.45) LMNAMAPT
SCHEMBL7999600 0.73 ALDH1A1 (0.33) L3MBTL1MAPT
SCHEMBL16245860 0.73 RAB9A (0.34) CYP1A2L3MBTL1LMNAHTR2AMAPT
SCHEMBL2090676 0.73 MEN1 (0.34) CYP1A2L3MBTL1LMNAHTR2AHDAC9
SCHEMBL3659892 0.71 HDAC9 (0.37) NOTUMCYP1A2L3MBTL1LMNAHDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113873884-B Arthropod control composition 弗门尼舍有限公司 2024-06-14 CN disclosed
EP-3707120-B1 ALDEHYDES FOR USE AS ODORANTS GIVAUDAN SA (CH) 2022-01-05 EP disclosed
EP-3707120-A1 ALDEHYDES FOR USE AS ODORANTS Givaudan SA (CH) 2020-09-16 EP disclosed
EP-3707120-A1 ALDEHYDES FOR USE AS ODORANTS Givaudan SA (CH) 2020-09-16 EP disclosed
WO-2019092056-A1 ALDEHYDES FOR USE AS ODORANTS GIVAUDAN SA (CH) 2019-05-16 WO disclosed