SCHEMBL5454890

SCHEMBL5454890

CCN(CC)C(c1ccccc1O)(N(CC)CC)N(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA2 P00918 4/20 0.36
CA4 P22748 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.36
GMNN O75496 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
FYN P06241 1/20 0.36
CA3 P07451 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
MMP9 P14780 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL148945 0.76 ALDH1A1 (0.56) TSHRALDH1A1TDP1CA2CA4
SCHEMBL29758408 0.76 ALDH1A1 (0.56) TSHRALDH1A1TDP1CA2CA4
Propane SCHEMBL2158316 0.71 ALDH1A1 (0.86) TSHRALDH1A1TDP1CA2CA4
SCHEMBL980707 0.71 TSHR (0.56) TSHRALDH1A1TDP1CA2CA4
SCHEMBL31276573 0.71 TSHR (0.56) TSHRALDH1A1TDP1CA2CA4
SCHEMBL6522579 0.71 TSHR (0.56) TSHRALDH1A1TDP1CA2CA4
SCHEMBL505600 0.71 TSHR (0.56) TSHRALDH1A1TDP1CA2CA4
SCHEMBL29372814 0.71 TSHR (0.56) TSHRALDH1A1TDP1CA2CA4
SCHEMBL9308101 0.70 TSHR (0.54) TSHRALDH1A1TDP1CA2CA4
Butane SCHEMBL10945777 0.70 ALDH1A1 (0.82) TSHRALDH1A1TDP1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9564638-B2 Battery electrode or separator surface protective agent composition, battery electrode or separator protected by the composition, and battery having the battery electrode or separator KYORITSU CHEMICAL & CO., LTD. (JP) 2017-02-07 US disclosed
US-20160172678-A1 BINDER FOR NON-AQUEOUS ELECTRICITY STORAGE ELEMENT, AND NON-AQUEOUS ELECTRICITY STORAGE ELEMENT KYORITSU CHEMICAL & CO., LTD. (JP) 2016-06-16 US disclosed
US-20130260207-A1 BATTERY ELECTRODE OR SEPARATOR SURFACE PROTECTIVE AGENT COMPOSITION, BATTERY ELECTRODE OR SEPARATOR PROTECTED BY THE COMPOSITION, AND BATTERY HAVING THE BATTERY ELECTRODE OR SEPARATOR KYORITSU CHEMICAL & CO., LTD. (JP) 2013-10-03 US disclosed
US-7903230-B2 Method for producing liquid crystal display cell and sealing agent for liquid crystal display cell MITSUI CHEMICALS, INC. (JP) 2011-03-08 US disclosed
US-20070179221-A1 Method for producing liquid crystal display cell and sealing agent for liquid crystal display cell MITSUI CHEMICALS, INC. 2007-08-02 US disclosed
US-20050143513-A1 Method for producing liquid crystal display cell and sealing agent for liquid crystal display cell MITSUI CHEMICALS, INC. (JP) 2005-06-30 US disclosed
EP-1480071-A1 METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY CELL AND SEALING AGENT FOR LIQUID CRYSTAL DISPLAY CELL Mitsui Chemicals, Inc. (JP) 2004-11-24 EP disclosed