SCHEMBL4413863

SCHEMBL4413863

C(=Cc1ccccc1)C1=CCC(c2ccccc2)(c2cc3ccccc3[nH]2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RELA Q04206 1/20 0.31

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
SCHEMBL5189265 0.81 CHAT (0.34) NPC1RAB9AMEN1KMT2ARELA
SCHEMBL19971950 0.71 RELA (0.33) PDGFRBPDGFRARAB9AKDM4EALDH1A1
SCHEMBL17599277 0.70 CA1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL462175 0.70 LMNA (0.36) PDGFRBPDGFRANPC1RAB9AKDM4E
SCHEMBL3281981 0.66 CHAT (0.32) MEN1KMT2A
SCHEMBL4438933 0.66 MAOB (0.39) MEN1KMT2ARELA
Hydrochloric Acid SCHEMBL12003783 0.65 MAOB (0.38) MEN1KMT2ARELA
SCHEMBL31506486 0.65 CHAT (0.35) MEN1KMT2ARELA
SCHEMBL28697334 0.65 CHAT (0.35) MEN1KMT2ARELA
SCHEMBL4595773 0.65 CHAT (0.39) NPC1RAB9AKDM4EMEN1ALDH1A1

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
EP-1996762-B1 NEAR-NEUTRAL CHLORINE DIOXIDE BLEACHING OF PULP FPINNOVATIONS (CA) 2016-11-09 EP disclosed
US-8470132-B2 Near neutral chlorine dioxide bleaching of pulp FPINNOVATIONS (CA) 2013-06-25 US disclosed
US-20090101296-A1 Near Neutral Chlorine Dioxide Bleaching of Pulp FPINNOVATIONS (CA) 2009-04-23 US disclosed
EP-1996762-A1 NEAR-NEUTRAL CHLORINE DIOXIDE BLEACHING OF PULP FPInnovations (CA) 2008-12-03 EP disclosed
WO-2007104128-A1 NEAR-NEUTRAL CHLORINE DIOXIDE BLEACHING OF PULP FP INNOVATIONS (CA) 2007-09-20 WO disclosed