SCHEMBL4469893

SCHEMBL4469893

O[CH]CCCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
SIGMAR1 Q99720 9/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 2/20 0.48
TRPV1 Q8NER1 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
ALOX5 P09917 1/20 0.47
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL3587150 1.00 MAPT (0.53) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL3600859 1.00 MAPT (0.53) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL3601330 1.00 MAPT (0.53) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL3584640 1.00 MAPT (0.53) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL3597537 1.00 MAPT (0.53) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL3586717 1.00 MAPT (0.53) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL3592734 1.00 MAPT (0.53) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL10516477 1.00 MAPT (0.53) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL3602230 1.00 MAPT (0.53) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL3591598 0.91 HDAC3 (0.50) MAPTRXFP1SIGMAR1MAOAMAOB

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-1537913-B1 PALLADIUM CATALYST COMPOSITION WAKO PURE CHEMICAL INDUSTIES L (JP) 2009-07-01 EP disclosed
EP-1537913-A1 PALLADIUM CATALYST COMPOSITION Wako Pure Chemical Industies, Ltd. (JP) 2005-06-08 EP disclosed