SCHEMBL2223336

SCHEMBL2223336

CCC(N)(O)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
LMNA P02545 1/20 0.40
PDE4B Q07343 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
AOC3 Q16853 2/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOTUM Q6P988 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2222330 0.84 HDAC1 (0.46) HDAC1HDAC8HDAC6S1PR1S1PR3
SCHEMBL2223392 0.77 HDAC1 (0.41) HDAC1HDAC8HDAC6S1PR1S1PR3
SCHEMBL5540418 0.71 PDE4B (0.50) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL2222160 0.71 HDAC1 (0.41) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL14294336 0.70 LMNA (0.52) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL2224672 0.68 MAOA (0.38) HDAC1HDAC8HDAC6S1PR1S1PR3
SCHEMBL14672201 0.68 LMNA (0.39) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL5540408 0.68 HDAC1 (0.50) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL2224843 0.67 LMNA (0.59) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL1543126 0.67 LMNA (0.52) HDAC1HDAC8HDAC6LMNAPDE4B

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