SCHEMBL8145490

SCHEMBL8145490

COc1cccc(C)c1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2OC)c2c(C(=O)O)ccc(C(=O)O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
KMT2A Q03164 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ATM Q13315 1/20 0.50
KDM4E B2RXH2 1/20 0.49
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 2/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CRHBP P24387 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43

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
SCHEMBL6598175 0.87 POLB (0.73) POLBKMT2AL3MBTL1KDM4ES1PR4
SCHEMBL8141825 0.85 POLB (0.52) POLBKMT2AL3MBTL1KDM4EKCNK3
SCHEMBL21870134 0.82 KCNK3 (0.68) POLBKMT2AL3MBTL1ATMKCNK3
SCHEMBL272817 0.81 POLB (0.65) POLBKMT2AL3MBTL1KDM4EMAPT
SCHEMBL21870165 0.80 KMT2A (0.63) POLBKMT2AL3MBTL1KCNK3KCNK9
SCHEMBL8147647 0.79 POLB (0.51) POLBKMT2AL3MBTL1KDM4EKCNK3
SCHEMBL6595989 0.79 HSD17B10 (0.61) POLBKMT2AKDM4EMAPTRAB9A
SCHEMBL6597515 0.78 POLB (0.56) POLBKMT2AL3MBTL1KDM4EKCNK3
SCHEMBL5480782 0.76 ATM (0.56) POLBKMT2AL3MBTL1ATMKDM4E
SCHEMBL21870513 0.74 ALDH1A1 (0.59) KMT2AATMKDM4EKCNK3KCNK9

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-6127076-A ELECTROPHOTOSENSITIVE MATERIAL CONTAINING NAPHTHALENETETRACARBOXYLIC ACID DIIMIDE DERIVATIVE AS ELECTRON TRANSPORTING AGENT KYOCERA MITA CORPORATION (JP) 2000-10-03 US disclosed
EP-0962458-A1 New naphthalenetetracarboxylic acid diimides as electron transporting agents in photosensitive material for electrophotography MITA INDUSTRIAL CO. LTD. (JP) 1999-12-08 EP disclosed