SCHEMBL7908533

SCHEMBL7908533

CC(C)(C)OC(=O)N1[C@H](CO)CC[C@H]1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.47
ABCB1 P08183 2/20 0.45
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
KLK7 P49862 2/20 0.44
STS P08842 1/20 0.44
GPR119 Q8TDV5 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
KLK5 Q9Y337 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7908527 1.00 CETP (0.47) CETPABCB1NR1H2NR1H3KLK7
SCHEMBL13609033 0.87 CETP (0.46) CETPABCB1NR1H2NR1H3KLK7
SCHEMBL7918130 0.87 CETP (0.48) CETPABCB1NR1H2NR1H3KLK7
SCHEMBL7918131 0.87 CETP (0.48) CETPABCB1NR1H2NR1H3KLK7
SCHEMBL14311138 0.87 CETP (0.46) CETPABCB1NR1H2NR1H3KLK7
SCHEMBL30360907 0.86 ALDH1A1 (0.46) CETPSTSGPR119
SCHEMBL29273726 0.86 ALDH1A1 (0.46) CETPSTSGPR119
SCHEMBL29273729 0.86 ALDH1A1 (0.46) CETPSTSGPR119
SCHEMBL14592677 0.85 ABCB1 (0.45) CETPABCB1KLK7STSGPR119
SCHEMBL2432631 0.85 ABCB1 (0.45) CETPABCB1KLK7STSGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed