SCHEMBL8418920

SCHEMBL8418920

CCC(C)c1ccccc1Nc1ccc(-c2ccc(Nc3ccccc3C(C)CC)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.35
FABP4 P15090 3/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNQ2 O43526 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HIF1A Q16665 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
SCHEMBL8417151 0.87 PIK3CA (0.36) FABP4L3MBTL1FABP3FABP5
SCHEMBL8418919 0.81 TSHR (0.39) HTTTSHRKDM4EMAPTMAPK1
SCHEMBL8895701 0.80 RAB9A (0.41) HTTFABP4KDM4EMAPTMEN1
SCHEMBL11810264 0.78 TSHR (0.50) HTTTSHRKDM4EMAPTMAPK1
SCHEMBL6131762 0.78 FABP4 (0.43) FABP4KDM4EMAPTTDP1NPC1
SCHEMBL8418766 0.78 FABP4 (0.38) FABP4KDM4EMAPTMAPK1TDP1
SCHEMBL8417377 0.76 SOAT1 (0.34) FABP4KDM4EMAPTMAPK1TDP1
SCHEMBL31265542 0.75 ALDH1A1 (0.45) HTTTSHRKDM4EMAPTMAPK1
SCHEMBL3475626 0.75 FABP4 (0.45) HTTFABP4KDM4EMAPTMAPK1
SCHEMBL26115642 0.75 TSHR (0.57) HTTTSHRKDM4EMAPTMAPK1

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