SCHEMBL14591908

SCHEMBL14591908

CC(C)C1CC(S(=O)(=O)c2ccccc2)CN1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
PIK3CD O00329 1/20 0.40
ELOVL6 Q9H5J4 2/20 0.39
HTR2A P28223 3/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 2/20 0.37
HTR2C P28335 1/20 0.37
CTSS P25774 8/20 0.36
CTSL P07711 4/20 0.35
CTSB P07858 4/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL14627061 0.84 L3MBTL1 (0.45) TSHRELOVL6HTR2AGRIN1GRIN2B
SCHEMBL14591897 0.76 UCHL1 (0.44) TSHRCTSSCTSLCTSBCTSK
SCHEMBL14591931 0.74 PIK3CD (0.30) PIK3CD
SCHEMBL25066083 0.74 PIK3CD (0.30) PIK3CD
SCHEMBL21142519 0.74 PIK3CD (0.30) PIK3CD
SCHEMBL25760130 0.70 HRH3 (0.40) PIK3CDKCNH2
SCHEMBL25760129 0.70 GBA1 (0.41) GRIN2BKCNH2
SCHEMBL14591895 0.70 SLC6A2 (0.47) PIK3CDGRIN1GRIN2B
SCHEMBL12049945 0.70 HTR2A (0.50) TSHRELOVL6HTR2AL3MBTL1KCNH2
SCHEMBL7129560 0.68 TSHR (0.65) TSHRL3MBTL1

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-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed