SCHEMBL10457333

SCHEMBL10457333

CC1=C(C(C)O)C(C)(C)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TRPA1 O75762 2/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
CYP3A4 P08684 1/20 0.30
SHBG P04278 1/20 0.30

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
SCHEMBL14416576 0.84 MAPT (0.37) MAPTALOX15TRPA1ESR1ESR2
SCHEMBL10457194 0.79 MAPT (0.38) MAPTALOX15
SCHEMBL10456222 0.76 MAPT (0.37) MAPTALOX15TRPA1
SCHEMBL10378663 0.75 MAPT (0.36) MAPTALOX15TRPA1ESR1ESR2
SCHEMBL4274331 0.71 MAPT (0.42) MAPTALOX15TRPA1ESR1ESR2
SCHEMBL9199030 0.70 MAPT (0.54) MAPTALOX15TRPA1
SCHEMBL9199028 0.70 MAPT (0.54) MAPTALOX15TRPA1
SCHEMBL11375248 0.70 TRPA1 (0.46) MAPTALOX15TRPA1ESR1ESR2
SCHEMBL855995 0.70 MAPT (0.41) MAPTALOX15TRPA1ESR1ESR2
SCHEMBL1628486 0.68 CYP1A2 (0.40) MAPTALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914229-A SCENTS, INTERMEDIATES FOR CAROTENOIDS BASF AKTIENGESELLSCHAFT (DE) 1990-04-03 US claimed
EP-0251050-A2 2,4,4-Trimethyl-cyclohex-2-en-1-on derivatives and their utilisation as perfumes BASF Aktiengesellschaft (DE) 1988-01-07 EP claimed
EP-0119546-A2 Process for the preparation of compounds of the 4-oxo-damascon series, and perfumes of this compound class BASF Aktiengesellschaft (DE) 1984-09-26 EP claimed
US-4914229-A SCENTS, INTERMEDIATES FOR CAROTENOIDS BASF AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
EP-0251050-A2 2,4,4-Trimethyl-cyclohex-2-en-1-on derivatives and their utilisation as perfumes BASF Aktiengesellschaft (DE) 1988-01-07 EP disclosed
US-4550211-A Preparation of compounds of the 4-oxodamascone series, and novel scents from this class of compounds BASF AKTIENGESELLSCHAFT (DE) 1985-10-29 US disclosed
EP-0119546-A2 Process for the preparation of compounds of the 4-oxo-damascon series, and perfumes of this compound class BASF Aktiengesellschaft (DE) 1984-09-26 EP disclosed