SCHEMBL7546802

SCHEMBL7546802

CC(C=O)C1C2CCC(C2)C1(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL872722 0.75 ALDH1A1 (0.33) ALDH1A1NPSR1
SCHEMBL9799218 0.73 RET (0.34) ALDH1A1NPSR1
SCHEMBL7549645 0.72 RET (0.39)
SCHEMBL6535036 0.72 ALDH1A1 (0.32) ALDH1A1NPSR1
SCHEMBL10889491 0.72 ACHE (0.33)
SCHEMBL7552292 0.72 ALDH1A1 (0.34) ALDH1A1NPSR1
SCHEMBL11534418 0.69 ALDH1A1 (0.31) ALDH1A1NPSR1
SCHEMBL11357206 0.68 ALDH1A1 (0.34) ALDH1A1NPSR1
SCHEMBL8996575 0.68 ALDH1A1 (0.32) ALDH1A1NPSR1
SCHEMBL11536645 0.67 UGT2B7 (0.36) ALDH1A1NPSR1

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