SCHEMBL3390915

SCHEMBL3390915

CC1=CC(C)C(C=O)C(C)C1.CCC=CCCC=CC=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PPARA Q07869 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL3390910 1.00 TRPA1 (0.33) TRPA1APOBEC3AAPOBEC3GPPARACNR1
SCHEMBL24496767 0.80 ALDH1A1 (0.40) APOBEC3AAPOBEC3G
SCHEMBL456066 0.80 ALDH1A1 (0.40) APOBEC3AAPOBEC3G
SCHEMBL17104165 0.73 ALDH1A1 (0.30)
SCHEMBL22397290 0.70 ALDH1A1 (0.34) APOBEC3AAPOBEC3G
SCHEMBL314360 0.70 ALDH1A1 (0.33) APOBEC3AAPOBEC3G
SCHEMBL8816152 0.69 TRPA1 (0.68) TRPA1PPARACNR1CNR2
SCHEMBL18954266 0.69 TRPA1 (0.68) TRPA1PPARACNR1CNR2
SCHEMBL1116445 0.69 TRPA1 (0.68) TRPA1PPARACNR1CNR2
SCHEMBL309546 0.69 TRPA1 (0.68) TRPA1PPARACNR1CNR2

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
EP-1740471-B1 PACKAGE FOR ODORANT COMPOSITIONS UNILEVER PLC (GB) 2010-12-22 EP disclosed