SCHEMBL9799218

SCHEMBL9799218

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
MAPK14 Q16539 1/20 0.34
CAMK1D Q8IU85 1/20 0.34
NR3C1 P04150 1/20 0.33
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 0.77 ALDH1A1 (0.33) RETMAPK14CAMK1DALDH1A1NPSR1
SCHEMBL6535036 0.74 ALDH1A1 (0.32) ALDH1A1NPSR1
SCHEMBL7546802 0.73 ALDH1A1 (0.31) ALDH1A1NPSR1
SCHEMBL10889491 0.70 ACHE (0.33)
SCHEMBL6551752 0.69 ALDH1A1 (0.33) RETMAPK14CAMK1DALDH1A1NPSR1
SCHEMBL11536645 0.69 UGT2B7 (0.36) ALDH1A1NPSR1
SCHEMBL11534418 0.68 ALDH1A1 (0.31) ALDH1A1NPSR1
SCHEMBL24520278 0.67 ALDH1A1 (0.42) RETMAPK14CAMK1DALDH1A1NPSR1
SCHEMBL27977582 0.67 TP53 (0.38) ALDH1A1
SCHEMBL9181343 0.66 TP53 (0.42) ALDH1A1

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-0244822-B1 BALSAMIC FRAGRANCE COMPOSITION AND PROCESS FOR PREPARATION HENKEL CORPORATION (US) 1991-03-06 EP disclosed
EP-0244822-A2 Balsamic fragrance composition and process for preparation HENKEL CORPORATION (US) 1987-11-11 EP disclosed
US-4661285-A FROM CAMPHENE, ETHYLHALOACETATE, AND DI-TERT-BUTYL PEROXIDE NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1987-04-28 US disclosed