SCHEMBL12031398

SCHEMBL12031398

OBc1ccc(Oc2ccc(F)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.50
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ HTR2A P28223 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PPARG P37231 2/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CHEK2 O96017 2/20 0.33

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
SCHEMBL257892 0.84 PPARG (0.38) SOS1MAP4K4FFAR4PPARGKMT2A
SCHEMBL10269849 0.81 RAB9A (0.42) KMT2ALMNAMEN1
SCHEMBL10355136 0.78 ESR1 (0.61) SOS1SLC1A3SLC1A2SLC1A1ESR1
SCHEMBL10269442 0.77 KDM1A (0.40) FFAR4PPARGSCN9ALMNA
SCHEMBL10187271 0.77 CES2 (0.41) CES2CES1
SCHEMBL4336604 0.75 SOS1 (0.56) SOS1SLC1A3SLC1A2SLC1A1HTR2A
SCHEMBL14656080 0.74 SOS1 (0.47) SOS1SLC1A3SLC1A2SLC1A1HTR2A
SCHEMBL257856 0.74 SOS1 (0.55) SOS1SLC1A3SLC1A2SLC1A1HTR2A
SCHEMBL12260900 0.74 SOS1 (0.55) SOS1SLC1A3SLC1A2SLC1A1MAP4K4
SCHEMBL5546742 0.74 SOS1 (0.55) SOS1SLC1A3SLC1A2SLC1A1MAP4K4

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
EP-2399584-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 — — EP disclosed
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