SCHEMBL4167974

SCHEMBL4167974

CCCC(O)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
AOC3 Q16853 2/20 0.46
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
ALOX12 P18054 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 1/20 0.39
ALOX5 P09917 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8693018 0.86 CSNK1E (0.45) TDP1ALDH1A1MAPK1KMT2AMAPT
SCHEMBL9810070 0.85 CSNK1E (0.47) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL347685 0.83 TDP1 (0.50) TDP1ALDH1A1CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL29730240 0.81 TDP1 (0.48) TDP1ALDH1A1CYP3A4ALOX15TSHR
Ammonia Solution, Strong SCHEMBL27928251 0.81 TDP1 (0.48) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL6049418 0.81 ALDH1A1 (0.46) TDP1ALDH1A1CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL5962620 0.81 TDP1 (0.48) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL27928253 0.81 TDP1 (0.48) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL14541275 0.78 TDP1 (0.50) TDP1AOC3ALDH1A1CYP3A4ALOX15
SCHEMBL7287919 0.78 TDP1 (0.40) TDP1ALDH1A1CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030099-A1 FOAM COMPOSITION AND FOAM THE YOKOHAMA RUBBER CO., LTD. (JP) 2009-01-29 US disclosed
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
EP-1724318-A1 METHOD FOR ADHESIVE-BONDING VULCANIZED RUBBER COMPOSITIONS BY THE USE OF THERMOPLASTIC ELASTOMER COMPOSITIONS THE YOKOHAMA RUBBER CO., LTD. (JP) 2006-11-22 EP disclosed
US-20060213605-A1 Method for adhesive-bonding vulcanized rubber compositions by the use of thermoplastic elastomer compositions YOKOHAMA RUBBER CO., LTD., THE (JP) 2006-09-28 US disclosed
US-20060199917-A1 thermoplastic elastomer exhibiting high recyclability and oil resistance as well as excellent mechanical strength, and in particular, excellent resistance to compression set is provided. The thermoplastic resin with epoxy, hydroxy or nitrogen groups in backbone YOKOHAMA RUBBER CO., LTD., THE (JP) 2006-09-07 US disclosed
EP-1695987-A1 Thermoplastic elastomer composition THE YOKOHAMA RUBBER CO., LTD. (JP) 2006-08-30 EP disclosed
US-20060189755-A1 Thermoplastic elastomer composition THE YOKOHAMA RUBBER CO., LTD. 2006-08-24 US disclosed
US-6121264-A GLUTAMATE RECEPTOR ANTAGONIST, AMPA RECEPTOR ANTAGONIST, NMDA-GLYCINE RECEPTOR ANTAGONIST, KAINIC ACID NEUROTOXICITY INHIBITOR, ANTIISCHEMIC AGENT, PSYCHOTROPIC AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-09-19 US disclosed
CN-1222154-A Imidazole-substituted quinoxalinedione derivatives YAMANOUCHI PHARMA CO LTD (JP) 1999-07-07 CN disclosed
EP-0919554-A1 IMIDAZOLE-SUBSTITUTED QUINOXALINEDIONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-06-02 EP disclosed