SCHEMBL28858253

SCHEMBL28858253

CC1=CC(C)C(OC(=O)C(=O)c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 3/20 0.35
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SCN1A P35498 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SCN2A Q99250 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL29899429 0.95 KCNH2 (0.37) MAPTKCNH2MAOASLC6A2SLC6A4
SCHEMBL14993063 0.77 ALDH1A1 (0.40) ACHECES2CES1MAPTALDH1A1
SCHEMBL3671553 0.70 CES2 (0.50) CES2CES1MAPTALDH1A1SCN1A
SCHEMBL6649308 0.70 CES2 (0.50) CES2CES1MAPTALDH1A1SCN1A
SCHEMBL13531412 0.69 SLC18A3 (0.39) CES2CES1ALDH1A1
SCHEMBL19197637 0.68 SLC18A3 (0.44)
SCHEMBL9015221 0.68 ALDH1A1 (0.59) MAPTALDH1A1
SCHEMBL7567134 0.68 ALDH1A1 (0.59) MAPTALDH1A1
SCHEMBL18759153 0.68 ALDH1A1 (0.59) MAPTALDH1A1
SCHEMBL14068464 0.67 CES2 (0.46) CES2CES1ALDH1A1SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115175658-A Perfume system for perfumed consumer products 弗门尼舍有限公司 2022-10-11 CN disclosed