SCHEMBL2780477

SCHEMBL2780477

O=C1N(c2ccc(F)c(F)c2)c2ccc([C@H](O)c3ccccc3C(F)(F)F)cc2C12OCCCO2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.35
ANPEP P15144 4/20 0.35
AR P10275 5/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL2781466 1.00 ALDH1A1 (0.37) ALDH1A1POLBANPEPARKDM4E
SCHEMBL2780482 1.00 ALDH1A1 (0.37) ALDH1A1POLBANPEPARKDM4E
SCHEMBL2783324 0.83 ALDH1A1 (0.34) ALDH1A1POLBANPEPARL3MBTL1
SCHEMBL13196497 0.83 ALDH1A1 (0.34) ALDH1A1POLBANPEPARL3MBTL1
SCHEMBL2781219 0.83 ALDH1A1 (0.34) ALDH1A1POLBANPEPARL3MBTL1
SCHEMBL13196437 0.82 ALDH1A1 (0.43) ALDH1A1POLBANPEPKDM4EL3MBTL1
SCHEMBL13196420 0.81 POLB (0.37) ALDH1A1POLBANPEPAR
SCHEMBL2779726 0.79 LMNA (0.48) ALDH1A1ANPEPL3MBTL1TSHRLMNA
SCHEMBL2781258 0.75 POLB (0.44) ALDH1A1POLBANPEPKDM4EL3MBTL1
SCHEMBL2781670 0.74 ALDH1A1 (0.41) ALDH1A1POLBANPEPKDM4EL3MBTL1

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