SCHEMBL14727181

SCHEMBL14727181

C=Cc1ccc(COCCc2ccc(N(c3ccc(CCOCc4ccc(C=C)cc4)cc3)c3ccc(COCCOCc4ccc(N(c5ccc(CCOCc6ccc(C=C)cc6)cc5)c5ccc(CCOCc6ccc(C=C)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
PPARG P37231 2/20 0.32
KCNH2 Q12809 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
MET P08581 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL14727183 0.97 ALDH1A1 (0.34) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14727187 0.97 ALDH1A1 (0.34) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14727186 0.97 ALDH1A1 (0.34) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14727173 0.94 PPARG (0.37) ALDH1A1PPARGKCNH2TDP1L3MBTL1
SCHEMBL14727182 0.94 L3MBTL1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14727188 0.91 ALDH1A1 (0.31) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14727120 0.91 PPARG (0.37) ALDH1A1CHRNB4CHRNA3CHRNA7PPARG
SCHEMBL14727155 0.91 NAAA (0.39) ALDH1A1PPARGTDP1L3MBTL1
SCHEMBL14727190 0.89 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14732702 0.88 L3MBTL1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8663883-B2 Charge-transporting film, photoelectric conversion device, electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2014-03-04 US disclosed
US-20130052570-A1 CHARGE-TRANSPORTING FILM, PHOTOELECTRIC CONVERSION DEVICE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2013-02-28 US disclosed