SCHEMBL7548674

SCHEMBL7548674

C=C(C)CC(C)(C=O)C1CCC2CC1C2(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.34
RET P07949 1/20 0.32
MAPK14 Q16539 1/20 0.32
CAMK1D Q8IU85 1/20 0.32

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
SCHEMBL7546418 0.80 HDAC6 (0.33) HDAC6RETMAPK14CAMK1D
SCHEMBL7551713 0.78 ALDH1A1 (0.31)
SCHEMBL7545415 0.77 ALOX15 (0.34) RETMAPK14CAMK1D
SCHEMBL30226250 0.74 HDAC6 (0.35) HDAC6RETMAPK14CAMK1D
SCHEMBL7547377 0.70
SCHEMBL7548848 0.67 TRPA1 (0.31)
SCHEMBL7553103 0.66 RET (0.35) HDAC6RETMAPK14CAMK1D
SCHEMBL7547381 0.66 ALOX15 (0.32) RETMAPK14CAMK1D
SCHEMBL7551737 0.64 RET (0.35) HDAC6RETMAPK14CAMK1D
SCHEMBL11536287 0.62 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746552-B1 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN SA (CH) 2002-06-12 EP disclosed
US-5665696-A ODORANT COMPOSITIONS GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1997-09-09 US disclosed
WO-1996020185-A2 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-07-04 WO disclosed