SCHEMBL11475484

SCHEMBL11475484

C=C(C)C(CC=C(C)C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGES O14684 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
SCHEMBL3359834 0.86 FNTA (0.50) FNTAFNTBGRIK1GRIK2TSHR
SCHEMBL2440334 0.86 FNTA (0.50) FNTAFNTBGRIK1GRIK2TSHR
SCHEMBL3359833 0.86 FNTA (0.50) FNTAFNTBGRIK1GRIK2TSHR
SCHEMBL8134708 0.85 GRIK1 (0.47) FNTAFNTBGRIK1GRIK2TSHR
SCHEMBL11471694 0.83 FNTA (0.67) FNTAFNTBMEN1KMT2A
SCHEMBL11477716 0.83 FNTA (0.67) FNTAFNTBMEN1KMT2A
SCHEMBL11859543 0.81 ALDH1A1 (0.33) FNTAFNTB
SCHEMBL11859540 0.81 ALDH1A1 (0.33) FNTAFNTB
SCHEMBL13287281 0.81 FNTA (0.38) FNTAFNTBGRIK1GRIK2TSHR
SCHEMBL24901145 0.79 FNTA (0.37) FNTAFNTBGRIK1GRIK2

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
JP-52100410-A None JP disclosed
US-4222963-A Substituted propargyl alcohols, allylic alcohols and unsaturated ketones, and methods for the production thereof KURARAY CO., LTD. (JP) 1980-09-16 US disclosed
US-4179579-A PERFUMES KURARAY CO., LTD. (JP) 1979-12-18 US disclosed
US-4122119-A Process for the production of unsaturated ketones KURARAY CO., LTD. (JP) 1978-10-24 US disclosed
JP-S52100410-A PRODUCTION OF 3-ISOPROPENYL-6-METHYL-5-HEPTEN-2-ONE KURARAY CO LTD 1977-08-23 JP disclosed