SCHEMBL7549645

SCHEMBL7549645

CC(C=O)C1CCC2CC1C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
MAPK14 Q16539 1/20 0.39
CAMK1D Q8IU85 1/20 0.39
TBXA2R P21731 2/20 0.30
HDAC6 Q9UBN7 2/20 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
SCHEMBL3652310 0.76 RET (0.41) RETMAPK14CAMK1DHDAC6
SCHEMBL7549758 0.74 RET (0.35) RETMAPK14CAMK1D
SCHEMBL7546802 0.72 ALDH1A1 (0.31)
SCHEMBL30226116 0.72 RET (0.48) RETMAPK14CAMK1DTBXA2RHDAC6
SCHEMBL23359376 0.72 RET (0.48) RETMAPK14CAMK1DTBXA2RHDAC6
SCHEMBL23359386 0.72 RET (0.48) RETMAPK14CAMK1DTBXA2RHDAC6
SCHEMBL23359371 0.72 RET (0.48) RETMAPK14CAMK1DTBXA2RHDAC6
SCHEMBL7553103 0.71 RET (0.35) RETMAPK14CAMK1DHDAC6
SCHEMBL19742869 0.69 RET (0.35) RETMAPK14CAMK1DHDAC6
SCHEMBL15973471 0.69 RET (0.35) RETMAPK14CAMK1DHDAC6

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 4 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
EP-0746552-A1 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-12-11 EP disclosed
WO-1996020185-A2 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-07-04 WO disclosed