SCHEMBL14727196

SCHEMBL14727196

c1ccc(COCCc2ccc(N(c3ccc(CCOCc4ccccc4)cc3)c3ccc(COCc4ccc(N(c5ccc(CCOCc6ccccc6)cc5)c5ccc(CCOCc6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTA4H P09960 1/20 0.41
NAAA Q02083 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LYPLA1 O75608 1/20 0.39
LYPLA2 O95372 1/20 0.39
BCHE P06276 1/20 0.38
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL14727184 0.96 TSHR (0.48) TSHRTDP1L3MBTL1LTA4HNAAA
SCHEMBL14727127 0.94 TSHR (0.47) TSHRTDP1L3MBTL1LTA4HNAAA
SCHEMBL14727193 0.89 TDP1 (0.41) TSHRTDP1L3MBTL1LTA4HNAAA
SCHEMBL28545314 0.85 ALDH1A1 (0.45) TDP1L3MBTL1KCNH2CHRM2HTR1A
SCHEMBL12677697 0.85 TSHR (0.61) TSHRTDP1L3MBTL1LYPLA1LYPLA2
SCHEMBL1066576 0.84 TSHR (0.67) TSHRTDP1L3MBTL1LTA4HNAAA
SCHEMBL14727154 0.84 L3MBTL1 (0.41) TSHRTDP1L3MBTL1BCHEKCNH2
SCHEMBL7506958 0.82 TSHR (0.71) TSHRTDP1L3MBTL1NAAAHTR1A
Water SCHEMBL28780406 0.82 TSHR (0.64) TSHRTDP1L3MBTL1LTA4HNAAA
Hydrochloric Acid SCHEMBL1409425 0.82 TSHR (0.64) TSHRTDP1L3MBTL1LTA4HNAAA

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 4 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-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
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