SCHEMBL5335445

SCHEMBL5335445

CC(COc1ccc(N(C(N)=O)c2ccc([As](C)C)cc2)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
CNR1 P21554 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
ABCB1 P08183 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL1304682 0.87 ALOX5 (0.43) POLBSMN1; SMN2ALOX5LMNAABCB1
SCHEMBL1305107 0.86 L3MBTL1 (0.41) POLBSMN1; SMN2ALOX5HTTMAPT
SCHEMBL1305429 0.86 HDAC1 (0.46) POLBSMN1; SMN2ALOX5GAAHTT
SCHEMBL1304251 0.86 LDHA (0.41) POLBSMN1; SMN2ALOX5GAAMAPT
SCHEMBL1304547 0.85 MAPK1 (0.47) POLBSMN1; SMN2MAPTLMNATSHR
SCHEMBL1305197 0.85 POLB (0.39) POLBSMN1; SMN2ALOX5GAAHTT
SCHEMBL1304618 0.84 ITGB3 (0.41) POLBSMN1; SMN2ALOX5GAAHTT
SCHEMBL1304974 0.81 MAOB (0.38) POLBSMN1; SMN2ALOX5PRSS1TMPRSS15
SCHEMBL1306105 0.81 CYP1A2 (0.39) POLBSMN1; SMN2ALOX5GAAHTT
SCHEMBL1304563 0.81 MAOA (0.39) POLBSMN1; SMN2LMNAKDM4ECYP1A2

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-2007044309-A2 DEVICE AND METHOD FOR INHIBITING AGE COMPLEX FORMATION VASIX CORPORATION (US) 2007-04-19 WO disclosed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 US disclosed