SCHEMBL6325989

SCHEMBL6325989

CC(C)N1CCN(S(=O)(=O)C(C=O)c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
GPR183 P32249 1/20 0.37
MMP13 P45452 2/20 0.37
MMP14 P50281 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADAMTS4 O75173 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP3A5 P20815 1/20 0.34
MC4R P32245 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6326000 0.78 HRH3 (0.43) GAALMNAPOLBHRH3GPR183
SCHEMBL28765618 0.75 CHRM2 (0.41) GAALMNAPOLBGPR183ALDH1A1
SCHEMBL16227288 0.70 ACHE (0.59) GAALMNACYP3A4MEN1KMT2A
SCHEMBL457537 0.70 GAA (0.36) GAAALDH1A1EPHX2
SCHEMBL27577404 0.67 HRH3 (0.42) HRH3ALDH1A1PKMMC4R
SCHEMBL22252719 0.67 POLB (0.56) POLBCYP3A4ALDH1A1CYP3A5L3MBTL1
SCHEMBL6325994 0.66 RAD52 (0.46) GAALMNAHRH3MMP13MMP14
SCHEMBL27794125 0.66 CACNA1B (0.42) GAAPOLBALDH1A1PKML3MBTL1
SCHEMBL26203636 0.66 LMNA (0.47) GAALMNAHRH3CYP3A4ALDH1A1
SCHEMBL25442196 0.64 LMNA (0.73) GAALMNAPOLBHRH3GPR183

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-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed