SCHEMBL2782200

SCHEMBL2782200

COc1ccccc1S(=O)(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.64
ALDH1A1 P00352 8/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
ANPEP P15144 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR6 P50406 1/20 0.37

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
SCHEMBL2781227 0.88 CNR2 (0.67) CNR2ALDH1A1POLBLMNATSHR
SCHEMBL2780580 0.86 CNR2 (0.65) CNR2ALDH1A1POLBLMNATSHR
SCHEMBL2781915 0.86 CNR2 (0.65) CNR2ALDH1A1POLBTSHRHTT
SCHEMBL13196498 0.85 CNR2 (0.70) CNR2ALDH1A1POLBLMNATSHR
SCHEMBL2780655 0.85 CNR2 (0.62) CNR2ALDH1A1POLBLMNATSHR
SCHEMBL2781801 0.83 CNR2 (0.65) CNR2ALDH1A1POLBANPEPL3MBTL1
SCHEMBL2782113 0.82 CNR2 (0.72) CNR2ALDH1A1POLBLMNATSHR
SCHEMBL2780219 0.82 CNR2 (0.69) CNR2ALDH1A1POLBTSHRHTT
SCHEMBL2780013 0.81 CNR2 (0.68) CNR2ALDH1A1POLBLMNATSHR
SCHEMBL2780330 0.81 CNR2 (0.64) CNR2ALDH1A1KMT2APOLBLMNA

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
WO-2010090680-A1 SUBSTITUTED OXINDOLE CB2 AGONISTS WYETH LLC (US) 2010-08-12 WO disclosed