SCHEMBL4795994

SCHEMBL4795994

CC[N+](CC)(CC)Cc1ccc(C[N+](CC)(CC)CC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
NFKB1 P19838 1/20 0.41
KCNA1 Q09470 1/20 0.41
KDM4E B2RXH2 2/20 0.39
PMP22 Q01453 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.38
CHRNA7 P36544 6/20 0.37
CHRNB4 P30926 4/20 0.37
CHRNA3 P32297 4/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 2/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
PSMD14 O00487 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
MC4R P32245 1/20 0.32
RAD52 P43351 1/20 0.32

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
Hydrochloric Acid SCHEMBL4803008 0.97 KDM4E (0.44) TSHRNFKB1KCNA1KDM4EPMP22
SCHEMBL15504886 0.92 TP53 (0.43) TSHRATMALDH1A1TDP1LMNA
SCHEMBL12404659 0.89 IDO1 (0.44) CYP1A2ALDH1A1TDP1ACHELMNA
SCHEMBL18459215 0.87 ALDH1A1 (0.46) TSHRALDH1A1TDP1PSMD14ACHE
SCHEMBL27524844 0.87 KCNH2 (0.50) KDM4EALDH1A1KCNH2CHRNA4LMNA
Water SCHEMBL9858178 0.87 IDO1 (0.42) TSHRCYP1A2ALDH1A1TDP1KCNH2
SCHEMBL29923478 0.87 TAAR1 (0.40) KDM4ECYP1A2CHRNA7ALDH1A1LMNA
Benzene SCHEMBL29130108 0.86 KDM4E (0.54) KDM4ECYP1A2CHRNA7CHRNB4CHRNA3
Hydrogen Sulfide SCHEMBL5998579 0.86 KDM4E (0.54) KDM4ECYP1A2CHRNA7CHRNB4CHRNA3
SCHEMBL81238 0.86 KDM4E (0.54) KDM4ECYP1A2CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7344780-B2 Can form coating directly on a metal surface without using any primer, and improve the resistance to antifreezes and the degradation of a coating film when it is compressed at a high temperature for a long time DAIKIN INDUSTRIES, LTD. (JP) 2008-03-18 US disclosed
US-6720381-B1 DURABLE COATING FOR PRINTER ROLL; NONIONIC POLYOXYETHYLENE GLYCOL SURFACTANT IS NOT ENDCAPPED WITH A PHENYL GROUP DAIKIN INDUSTRIES, LTD. (JP) 2004-04-13 US disclosed
US-20030157336-A1 Fluororubber coating composition DAIKIN INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1291401-A1 FLUORORUBBER COATING COMPOSITION Daikin Industries, Ltd. (JP) 2003-03-12 EP disclosed
EP-1245634-A1 WATER-BASED COMPOSITION FOR FLUORORUBBER VULCANIZATION AND ARTICLE COATED WITH FLUORORUBBER Daikin Industries, Ltd. (JP) 2002-10-02 EP disclosed
EP-1138718-A1 AQUEOUS COMPOSITION FOR VULCANIZATION OF FLUORO RUBBER AND ARTICLE COATED WITH FLUORO RUBBER Daikin Industries, Ltd. (JP) 2001-10-04 EP disclosed