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Sugi Predict / Compounds / SCHEMBL13196497

SCHEMBL13196497

SCHEMBL13196497

N#Cc1ccccc1N1C(=O)C2(OCCCO2)c2cc([C@H](O)c3ccccc3C(F)(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TSHR P16473 5/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ANPEP P15144 2/20 0.33
▸ C5AR1 P21730 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ AR P10275 2/20 0.32

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
SCHEMBL2781219 1.00 ALDH1A1 (0.34) ALDH1A1L3MBTL1TSHRLMNAPOLB
SCHEMBL2783324 1.00 ALDH1A1 (0.34) ALDH1A1L3MBTL1TSHRLMNAPOLB
SCHEMBL2780482 0.83 ALDH1A1 (0.37) ALDH1A1L3MBTL1TSHRLMNAPOLB
SCHEMBL2781466 0.83 ALDH1A1 (0.37) ALDH1A1L3MBTL1TSHRLMNAPOLB
SCHEMBL2780477 0.83 ALDH1A1 (0.37) ALDH1A1L3MBTL1TSHRLMNAPOLB
SCHEMBL13196425 0.81 AR (0.34) ALDH1A1LMNAPOLBANPEPC5AR1
SCHEMBL2779726 0.78 LMNA (0.48) ALDH1A1L3MBTL1TSHRLMNAANPEP
SCHEMBL2781884 0.76 POLB (0.40) ALDH1A1L3MBTL1TSHRLMNAPOLB
SCHEMBL13196437 0.74 ALDH1A1 (0.43) ALDH1A1L3MBTL1TSHRLMNAPOLB
SCHEMBL2780834 0.69 CNR2 (0.47) POLBANPEP

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