SCHEMBL2222200

SCHEMBL2222200

CC(C(=O)O)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
LMNA P02545 1/20 0.46
PDE4B Q07343 2/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.41
TPH1 P17752 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM5B Q9UGL1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL3078502 0.87 PDE4B (0.43) HDAC8HDAC1HDAC6PDE4BNPC1
SCHEMBL21721696 0.81 NPC1 (0.47) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2229660 0.75 NPC1 (0.44) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2227101 0.75 HDAC8 (0.41) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2226098 0.74 NPC1 (0.45) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL4027129 0.73 TPH1 (0.51) HDAC8HDAC1HDAC6HPGDTPH1
SCHEMBL3096751 0.73 LMNA (0.59) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2560216 0.73 HDAC1 (0.69) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2222487 0.72 HDAC1 (0.68) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2222261 0.72 NPC1 (0.44) HDAC8HDAC1HDAC6LMNAPDE4B

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
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed