SCHEMBL3404645

SCHEMBL3404645

OC1=CCCCCCCCCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
KDM1A O60341 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
EPHX1 P07099 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
CTSK P43235 1/20 0.31
HSD11B1 P28845 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL5617231 1.00 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6KDM1A
SCHEMBL290418 1.00 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6KDM1A
SCHEMBL3404642 1.00 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6KDM1A
SCHEMBL4417054 1.00 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6KDM1A
SCHEMBL1300017 1.00
SCHEMBL6897016 1.00 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6KDM1A
SCHEMBL1379861 1.00
SCHEMBL6055452 1.00 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6KDM1A
SCHEMBL17851300 1.00 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6KDM1A
SCHEMBL6897019 1.00 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060437-A1 METHOD FOR THE PURIFICATION OF CYCLOHEXADEC-8-EN-1-ONE BASF SE (DE) 2017-04-13 WO disclosed
EP-2254546-A2 TOPICAL COMPOSITIONS AND METHODS FOR WHITENING SKIN ELC Management LLC (US) 2010-12-01 EP disclosed
WO-2009105294-A2 TOPICAL COMPOSITIONS AND METHODS FOR WHITENING SKIN ELC MANAGEMENT LLC (US) 2009-08-27 WO disclosed
US-6352703-B1 APPLYING POISON AND FEEDING STIMULANT COMPRISING NAPHTHALENE, 2,6-DI-TERT-BUTYL-4-METHYLPHENOL, ERGOSTEROL, DIOCTYL ADIPATE, AND/OR DIOCTYL PHTHALATE; INCREASED CONSUMPTION BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2002-03-05 US disclosed