SCHEMBL7546418

SCHEMBL7546418

C=CCC(C)(C=O)C1CCC2CC1C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.33
TBXA2R P21731 2/20 0.30
RET P07949 1/20 0.30
MAPK14 Q16539 1/20 0.30
CAMK1D Q8IU85 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
SCHEMBL7548674 0.80 HDAC6 (0.34) HDAC6RETMAPK14CAMK1D
SCHEMBL7547381 0.77 ALOX15 (0.32) RETMAPK14CAMK1D
SCHEMBL7546830 0.77
SCHEMBL30226250 0.76 HDAC6 (0.35) HDAC6RETMAPK14CAMK1D
SCHEMBL7549758 0.65 RET (0.35) RETMAPK14CAMK1D
SCHEMBL16932586 0.63
SCHEMBL7545415 0.62 ALOX15 (0.34) RETMAPK14CAMK1D
SCHEMBL19742871 0.61 RET (0.35) HDAC6RETMAPK14CAMK1D
SCHEMBL30832584 0.61 RET (0.35) HDAC6RETMAPK14CAMK1D
SCHEMBL19742869 0.61 RET (0.35) HDAC6RETMAPK14CAMK1D

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