SCHEMBL3396037

SCHEMBL3396037

Cc1ccccc1-c1cccc(OCc2cc(-c3ccccc3)[nH]n2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.46
SLC22A12 Q96S37 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
NR1H4 Q96RI1 1/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
FABP4 P15090 2/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
FABP5 Q01469 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 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
SCHEMBL3364903 0.86 GRM5 (0.46) FFAR1
SCHEMBL13426115 0.86 SOD1 (0.49) CYSLTR2CYSLTR1
SCHEMBL3399321 0.85 FFAR1 (0.42) FFAR1FABP4CYSLTR2CYSLTR1
SCHEMBL3397786 0.82 SCN9A (0.44) FFAR1FFAR4FABP4
SCHEMBL962238 0.77 FFAR1 (0.60) FFAR1FFAR4NR1H4BRD4CREBBP
SCHEMBL13426089 0.77 FFAR1 (0.46) FFAR1FFAR4NR1H4NMT2NMT1
SCHEMBL13426142 0.74 KCNH2 (0.49)
SCHEMBL6313369 0.72 BRD4 (0.50) FFAR1FFAR4BRD4CREBBPS1PR1
SCHEMBL6596371 0.72 HPGDS (0.53)
Hydrochloric Acid SCHEMBL1195021 0.71 HPGDS (0.52)

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed