SCHEMBL3262722

SCHEMBL3262722

CCCCCCCCCCc1c2cccc1OOCC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
CYP1A1 P04798 1/20 0.36
CYP2D6 P10635 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CXCR5 P32302 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
SCHEMBL498621 1.00 KCNH2 (0.37) KCNH2CYP1A1CYP2D6ALDH1A1CYP1A2
SCHEMBL28054371 1.00 KCNH2 (0.37) KCNH2CYP1A1CYP2D6ALDH1A1CYP1A2
SCHEMBL289726 1.00 KCNH2 (0.37) KCNH2CYP1A1CYP2D6ALDH1A1CYP1A2
SCHEMBL287633 1.00 KCNH2 (0.37) KCNH2CYP1A1CYP2D6ALDH1A1CYP1A2
SCHEMBL27995364 1.00 KCNH2 (0.37) KCNH2CYP1A1CYP2D6ALDH1A1CYP1A2
SCHEMBL28054351 1.00 KCNH2 (0.37) KCNH2CYP1A1CYP2D6ALDH1A1CYP1A2
SCHEMBL1878428 1.00 KCNH2 (0.37) KCNH2CYP1A1CYP2D6ALDH1A1CYP1A2
SCHEMBL7934680 1.00 KCNH2 (0.37) KCNH2CYP1A1CYP2D6ALDH1A1CYP1A2
Formaldehyde SCHEMBL8516632 0.96 CYP1A1 (0.37) KCNH2CYP1A1CYP2D6ALDH1A1CYP1A2
Acetic Acid SCHEMBL4544166 0.92 CXCR5 (0.38) KCNH2CYP1A1CXCR5

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
CN-104379836-B The manufacture method of softening agent for paper, paper and sanitary paper 星光PMC株式会社 2016-06-22 CN disclosed
US-7745530-B2 Aqueous emulsion resin compositions DAIKIN INDUSTRIES, LTD. (JP) 2010-06-29 US disclosed
EP-1411085-B1 AQUEOUS EMULSION RESIN COMPOSITIONS DAIKIN IND LTD (JP) 2006-11-02 EP disclosed
US-20040192828-A1 Aqueous emulsion resin compositions DAIKIN INDUSTRIES, LTD. (JP) 2004-09-30 US disclosed
EP-1411085-A1 AQUEOUS EMULSION RESIN COMPOSITIONS Daikin Industries, Ltd. (JP) 2004-04-21 EP disclosed