SCHEMBL371360

SCHEMBL371360

CC(=O)N1CC(c2ccc([C@](C/C=N/O)(c3ccnc(C)c3)c3ccccc3C)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 12/20 0.38
WNT3A P56704 1/20 0.35
USP30 Q70CQ3 1/20 0.34
MAP3K12 Q12852 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CSF1R P07333 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL364583 0.84 TLR9 (0.38) TLR9TLR8TLR7GPBAR1
SCHEMBL364225 0.83 TLR8 (0.39) WNT3ATLR9TLR8TLR7GPBAR1
SCHEMBL362361 0.81 GPBAR1 (0.31) GPBAR1
SCHEMBL363509 0.80 PROKR1 (0.40) PROKR1WNT3AUSP30MAP3K12TLR9
SCHEMBL363962 0.79
SCHEMBL364581 0.79
SCHEMBL364312 0.78 SMO (0.33)
SCHEMBL364230 0.78
SCHEMBL362561 0.77 RAB9A (0.32)
SCHEMBL363169 0.77 CTSA (0.35)

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed