SCHEMBL3336217

SCHEMBL3336217

OCCCCCCCCCCCCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.47
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TBXAS1 P24557 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
IDO1 P14902 2/20 0.42
HTR2A P28223 2/20 0.40
TNNC1 P63316 1/20 0.40

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
SCHEMBL5477171 1.00 PAM (0.47) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL9678691 1.00 PAM (0.47) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL9678704 1.00 PAM (0.47) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL5477174 1.00 PAM (0.47) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL9226025 1.00 PAM (0.47) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL5462356 0.98 PAM (0.48) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL5462355 0.98 PAM (0.48) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL5470587 0.92 PAM (0.50) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL5470592 0.92 PAM (0.50) PAMHDAC1HDAC8HDAC3HDAC4
Butadiene SCHEMBL28387038 0.91 PAM (0.43) PAMHDAC1HDAC8HDAC3HDAC4

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-8211951-B2 High selectivity polymer-nano-porous particle membrane structures BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-07-03 US disclosed
US-20100093879-A1 High Selectivity Polymer-Nano-Porous Particle Membrane Structures BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-04-15 US disclosed
CN-101652410-A High selectivity polymer-nano-porous particle membrane structures UNIV TEXAS US 2010-02-17 CN disclosed
EP-2118184-A1 HIGH SELECTIVITY POLYMER-NANO-POROUS PARTICLE MEMBRANE STRUCTURES Board of Regents, The University of Texas System (US) 2009-11-18 EP disclosed
WO-2008112745-A1 HIGH SELECTIVITY POLYMER-NANO-POROUS PARTICLE MEMBRANE STRUCTURES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-09-18 WO disclosed