SCHEMBL13018397

SCHEMBL13018397

COc1ccc(C2(c3ccc(OC(=O)Oc4ccc(C(C)(C)c5ccc(OC(=O)Oc6ccc(-c7ccc(OC(C)=O)cc7)cc6)cc5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ADORA3 P0DMS8 2/20 0.42
BACE1 P56817 5/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.35
SLC6A3 Q01959 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
SLC6A4 P31645 1/20 0.34
ESR1 P03372 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL15417115 1.00 MAPT (0.45) MAPTKDM4EKMT2ACYP2C9HPGD
SCHEMBL14682219 1.00 MAPT (0.45) MAPTKDM4EKMT2ACYP2C9HPGD
SCHEMBL12867433 1.00 MAPT (0.45) MAPTKDM4EKMT2ACYP2C9HPGD
SCHEMBL12021704 0.97 MAPT (0.47) MAPTKDM4EKMT2ACYP2C9HPGD
SCHEMBL12919554 0.92 KMT2A (0.48) MAPTKDM4EKMT2ACYP2C9HPGD
SCHEMBL12404386 0.92 KMT2A (0.48) MAPTKDM4EKMT2ACYP2C9HPGD
SCHEMBL13144068 0.91 MAPT (0.49) MAPTKDM4EKMT2ACYP2C9HPGD
SCHEMBL16488963 0.88 KMT2A (0.51) MAPTKDM4EKMT2ACYP2C9HPGD
SCHEMBL19194913 0.88 KMT2A (0.51) MAPTKDM4EKMT2ACYP2C9HPGD
SCHEMBL14682194 0.86 KMT2A (0.36) MAPTKDM4EKMT2ACYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530123-B2 Electrophotographic photoreceptor, electrophotographic photoreceptor cartridge, and image-forming apparatus MITSUBISHI CHEMICAL CORPORATION (JP) 2013-09-10 US disclosed
US-8450032-B2 2013-05-28 US disclosed
US-20100330474-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE-FORMING APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2010-12-30 US disclosed