SCHEMBL30600480

SCHEMBL30600480

CC(C=O)Cc1cccc(C(C)(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.65
TSHR P16473 2/20 0.65
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
HTR2C P28335 1/20 0.46
SIGMAR1 Q99720 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
BCHE P06276 5/20 0.39
BACE1 P56817 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 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
SCHEMBL779665 1.00 TP53 (0.65) TP53TSHRHTR2AHTR2BHTR2C
SCHEMBL27887086 0.87 TP53 (0.53) TP53TSHRHTR2AHTR2BHTR2C
SCHEMBL14535006 0.85 HTR2A (0.66) TP53TSHRHTR2AHTR2BHTR2C
Benzene SCHEMBL28938992 0.79 TP53 (0.93) TP53TSHRSIGMAR1MAPTBCHE
SCHEMBL13453994 0.79 TP53 (1.00) TP53TSHRSIGMAR1
SCHEMBL16880397 0.79 TP53 (1.00) TP53TSHRSIGMAR1
SCHEMBL81866 0.79 TP53 (1.00) TP53TSHRSIGMAR1
SCHEMBL1654191 0.79 TP53 (0.49) TP53TSHRHTR2AHTR2BHTR2C
SCHEMBL4445053 0.77 HTR2A (0.50) TP53TSHRHTR2AHTR2BHTR2C
SCHEMBL10636154 0.77 HTR2A (0.50) TP53TSHRHTR2AHTR2BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111183136-B Amber odorant 弗门尼舍有限公司 2024-05-28 CN disclosed
CN-111108100-B Use of monarch ambergris for enhancing mugwort tone 西姆莱斯有限公司 2023-08-01 CN disclosed