SCHEMBL3364903

SCHEMBL3364903

COc1ccccc1-c1cccc(OCc2cc(-c3ccccc3)[nH]n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
FFAR1 O14842 2/20 0.44
HSD17B10 Q99714 2/20 0.43
STK10 O94804 1/20 0.43
SLK Q9H2G2 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SYK P43405 2/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
HTR7 P34969 3/20 0.41
PPARD Q03181 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL3396037 0.86 FFAR1 (0.46) FFAR1
SCHEMBL13426115 0.84 SOD1 (0.49)
SCHEMBL3399321 0.83 FFAR1 (0.42) GRM5FFAR1PRMT5WDR77MEN1
SCHEMBL3397786 0.81 SCN9A (0.44) GRM5FFAR1PRMT5WDR77
SCHEMBL13426010 0.79 FFAR1 (0.48) FFAR1HSD17B10STK10SLKMAPT
SCHEMBL13426151 0.76 CYP1A2 (0.47) HSD17B10KDM4EHTR7LMNAMAPK1
SCHEMBL421390 0.74 LMNA (0.61) FFAR1KDM4ELMNAMAPK1HTT
SCHEMBL1528375 0.73 HSD17B10 (0.53) FFAR1HSD17B10KDM4EMAPTSYK
SCHEMBL16841261 0.73 RAB9A (0.59) HSD17B10KDM4EMAPTLMNAMAPK1
SCHEMBL27768176 0.72 AR (0.46) HSD17B10KDM4EMAPTLMNAMAPK1

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