SCHEMBL667371

SCHEMBL667371

COC(=O)C(=S)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KEAP1 Q14145 1/20 0.52
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
CMA1 P23946 1/20 0.49
FFAR1 O14842 1/20 0.48
POLB P06746 1/20 0.48
MGLL Q99685 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.47
ALOX5 P09917 1/20 0.46

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
SCHEMBL8616006 0.81 CES2 (0.48) ALDH1A1HDAC8HDAC6NPC1RAB9A
SCHEMBL991969 0.81 ALDH1A1 (0.57) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL7277539 0.79 KEAP1 (0.61) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL3997663 0.79 ALDH1A1 (0.53) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL11067848 0.77 ALDH1A1 (0.44) ALDH1A1HDAC8HDAC6NPC1RAB9A
SCHEMBL20897266 0.77 KEAP1 (0.55) ALDH1A1KEAP1HDAC2HDAC8HDAC6
Methyl 3-Phenylpropanoate SCHEMBL168711 0.77 TDP1 (0.68) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL8624512 0.76 ALDH1A1 (0.50) ALDH1A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL7060202 0.76 ALDH1A1 (0.50) ALDH1A1KEAP1HDAC2HDAC8HDAC6
Methyl 3-Phenylpropanoate SCHEMBL1893702 0.76 TDP1 (0.66) ALDH1A1KEAP1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8945807-B2 Blends of fullerene derivatives, and uses thereof in electronic devices SOLENNE BV (NL) 2015-02-03 US disclosed
EP-2043952-B1 BLENDS OF FULLERENE DERIVATIVES AND USES THEREOF IN ELECTRONIC DEVICES SOLENNE B V I O (NL) 2014-10-29 EP disclosed
US-20130306944-A1 Blends of Fullerene Derivatives, and Uses Thereof in Electronic Devices SOLENNE BV (NL) 2013-11-21 US disclosed
US-8435713-B2 Blends of fullerene derivatives, and uses thereof in electronic devices SOLENNE BV (NL) 2013-05-07 US disclosed
US-20120043507-A1 BLENDS OF FULLERENE DERIVATIVES, AND USES THEREOF IN ELECTRONIC DEVICES SOLENNE BV (NL) 2012-02-23 US disclosed
US-20100127244-A1 Blends of Fullerene Derivatives, and Uses Thereof in Electronic Devices SOLENNE BV (NL) 2010-05-27 US disclosed
EP-2043952-A2 BLENDS OF FULLERENE DERIVATIVES, AND USES THEREOF IN ELECTRONIC DEVICES Solenne B.V. i.o. (NL) 2009-04-08 EP disclosed
WO-2008006071-A2 BLENDS OF FULLERENE DERIVATIVES, AND USES THEREOF IN ELECTRONIC DEVICES SOLENNE BV (NL) 2008-01-10 WO disclosed