SCHEMBL988913

SCHEMBL988913

COC(=O)C1CC(S(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.46
ANPEP P15144 1/20 0.46
ELOVL6 Q9H5J4 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL30267353 0.86 ALDH1A1 (0.47) MMP2ANPEPELOVL6ALDH1A1KMT2A
SCHEMBL989406 0.82 ALDH1A1 (0.51) MMP2ELOVL6ALDH1A1KMT2AMEN1
SCHEMBL4165100 0.79 ELOVL6 (0.49) MMP2ELOVL6ALDH1A1KMT2AMEN1
SCHEMBL25544479 0.79 CYP2D6 (0.50) MMP2ANPEPALDH1A1KMT2AMAPT
SCHEMBL401342 0.79 CYP2D6 (0.50) MMP2ANPEPALDH1A1KMT2AMAPT
SCHEMBL401343 0.79 CYP2D6 (0.50) MMP2ANPEPALDH1A1KMT2AMAPT
SCHEMBL12688434 0.79 TRPA1 (0.34) MMP2ANPEPELOVL6PKM
SCHEMBL27972231 0.78 ADAM17 (0.53) MMP2ANPEPALDH1A1KMT2A
SCHEMBL2868127 0.78 MMP2 (0.46) MMP2ANPEPALDH1A1KMT2AMEN1
SCHEMBL13415380 0.78 MMP2 (0.46) MMP2ANPEPALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454230-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP disclosed
WO-2011006621-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 WO disclosed