SCHEMBL122095

SCHEMBL122095

O=C(O)c1cccc[n+]1CCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL124600 0.95 MAPT (0.46) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL125473 0.94 MAPT (0.49) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL28334162 0.81 NPC1 (0.41) MAPK1ADRA1ASLC6A3SMN1; SMN2NPC1
SCHEMBL124943 0.79 CYP2D6 (0.60) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL28334165 0.77 CYP2D6 (0.39) MAPK1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL28336516 0.73 CYP2D6 (0.41) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL124485 0.72 RARB (0.49) HDAC1HDAC2HDAC8HDAC3HDAC6
Bromide SCHEMBL11582464 0.72 NPC1 (0.70) SMN1; SMN2NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL28336408 0.72 CYP2D6 (0.40) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL6669907 0.71 TP53 (0.43) ADRA1ASLC6A3SMN1; SMN2NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143820-B1 An electroless gold plating solution ROHM & HAAS ELECT MAT (US) 2012-03-07 EP disclosed
EP-2143820-A1 An electroless gold plating solution Rohm and Haas Electronic Materials LLC (US) 2010-01-13 EP disclosed
US-7534289-B1 Electroless gold plating solution ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2009-05-19 US disclosed