SCHEMBL8418919

SCHEMBL8418919

CCC(C)c1ccccc1Nc1ccc(-c2ccc(Nc3ccccc3C(C)CC)cc2-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KCNQ2 O43526 1/20 0.35
PKM P14618 1/20 0.34
RORC P51449 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APP P05067 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPRC P08575 3/20 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
SCHEMBL8417148 0.85 L3MBTL1 (0.39) RORCL3MBTL1APP
SCHEMBL8418920 0.81 HTT (0.35) TSHRHTTKDM4EMAPTALDH1A1
SCHEMBL11810264 0.80 TSHR (0.50) TSHRHTTKDM4EMAPTALDH1A1
SCHEMBL8895693 0.77 RAB9A (0.43) HTTKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL26115642 0.77 TSHR (0.57) TSHRHTTKDM4EMAPTPKM
SCHEMBL28893488 0.75 TSHR (0.52) TSHRHTTKDM4EMAPTKCNQ2
SCHEMBL6825671 0.75 TSHR (0.44) TSHRHTTKDM4EALDH1A1PKM
SCHEMBL8418765 0.74 SMN1; SMN2 (0.36) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL9006076 0.74 MAPK14 (0.44) KDM4EMAPTALDH1A1PKMSMN1; SMN2
SCHEMBL8417375 0.72 SOAT1 (0.37) APP

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
EP-0597128-B1 ESTER POLYMER, PRODUCTION THEREOF, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR MADE THEREFROM IDEMITSU KOSAN CO (JP) 1999-09-15 EP disclosed
EP-0411192-B1 Electrophotographic photoreceptor IDEMITSU KOSAN CO (JP) 1995-06-07 EP disclosed
EP-0597128-A1 ESTER POLYMER, PRODUCTION THEREOF, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR MADE THEREFROM IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-05-18 EP disclosed
EP-0411192-A1 Electrophotographic photoreceptor IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-06 EP disclosed