SCHEMBL4640403

SCHEMBL4640403

CC(C)C(C)C(C)CC(=O)OOOC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL22774940 0.81 MMP1 (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7786183 0.80 MMP1 (0.34) CYP2D6ALDH1A1TDP1
SCHEMBL6666057 0.79 CYP2D6 (0.37) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL740506 0.76 CYP2D6 (0.32) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL36622 0.75 CYP2D6 (0.31) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9566596 0.74 TSHR (0.33) CYP2D6TSHR
SCHEMBL4455662 0.73 HDAC3 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15834913 0.72 CYP2D6 (0.51) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31548529 0.72 CYP2D6 (0.51) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL29028208 0.72 ELANE (0.33)

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-1954748-B1 PREPREGS AND CURED IN PLACE SOLID SURFACES PREPARED THEREFROM ASHLAND LICENSING & IP LLC (US) 2018-09-26 EP disclosed
US-8741978-B2 Prepregs and cured in place solid surfaces prepared therefrom ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2014-06-03 US disclosed
EP-1954748-A2 PREPREGS AND CURED IN PLACE SOLID SURFACES PREPARED THEREFROM Ashland Licensing and Intellectual Property LLC (US) 2008-08-13 EP disclosed
US-20070225443-A1 Prepregs and cured in place solid surfaces prepared therefrom ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2007-09-27 US disclosed
WO-2007064688-A2 PREPREGS AND CURED IN PLACE SOLID SURFACES PREPARED THEREFROM ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2007-06-07 WO disclosed