SCHEMBL17010798

SCHEMBL17010798

Cc1cc(-c2cccc(F)c2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.44
LPL P06858 4/20 0.44
PGR P06401 6/20 0.41
TAAR1 Q96RJ0 3/20 0.40
ESR2 Q92731 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL10269575 0.90 LIPG (0.45) LIPGLPLPGRTAAR1ESR2
SCHEMBL14696435 0.86 LIPG (0.45) LIPGLPL
SCHEMBL20904793 0.85 LIPG (0.46) LIPGLPLPGRTAAR1ESR2
SCHEMBL13830608 0.84 LIPG (0.59) LIPGLPLPGRTNKS2
SCHEMBL6311907 0.82 LPL (0.49) LIPGLPLPDE3A
SCHEMBL31605738 0.82 LPL (0.49) LIPGLPLPDE3A
SCHEMBL29399706 0.81 LIPG (0.40) LIPGLPLPGRTAAR1ESR2
SCHEMBL14537752 0.81 TAAR1 (0.41) PGRTAAR1ESR2TNKS2PDE3B
SCHEMBL14537751 0.79 TAAR1 (0.40) PGRTAAR1ESR2TNKS2PDE3B
SCHEMBL12261264 0.79 LIPG (0.41) LIPGLPLPGRPDE3BPDE3A

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-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed