SCHEMBL91637

SCHEMBL91637

Cc1ccc(Cl)c2c1OCC2=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.40
TYR P14679 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PSMB5 P28074 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
BRD4 O60885 2/20 0.31
BRDT Q58F21 1/20 0.31
CREBBP Q92793 1/20 0.31
CECR2 Q9BXF3 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
BRD7 Q9NPI1 1/20 0.31
PPIA P62937 1/20 0.31
PARP1 P09874 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL11189590 0.85 CES1 (0.36) CES1TYRPDE3BPDE3APSMB5
SCHEMBL91638 0.82 LMNA (0.42) CES1PDE3BPDE3AHTR2AHTR2C
SCHEMBL8948530 0.78 ADORA2A (0.41) PSMB5PARP1
SCHEMBL86812 0.72 PDE7A (0.40) HTR2CHTR2B
SCHEMBL8948723 0.71 MAPK1 (0.35)
SCHEMBL69426 0.70 TYR (0.31) TYRPSMB5
SCHEMBL30954241 0.70 PSMB5 (0.33) PSMB5PARP1
SCHEMBL20282994 0.68 GPR55 (0.38) PSMB5PARP1
SCHEMBL4654915 0.68 LMNA (0.45) CES1PDE3BPDE3AHTR2AHTR2C
SCHEMBL12878756 0.66 NPC1 (0.33) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
US-8147921-B2 Ink set for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8110253-B2 Ink composition FUJIFILM CORPORATION (JP) 2012-02-07 US disclosed
US-7985785-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2011-07-26 US disclosed