SCHEMBL6408239

SCHEMBL6408239

C=CCOC(=O)C(=C)C.C=CCOC(=O)C=C.N#CC=CC=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.38
ALOX12 P18054 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
RECQL P46063 1/20 0.37
PTP4A3 O75365 2/20 0.36
PTP4A1 Q93096 2/20 0.36
CASP1 P29466 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11872611 0.96 MAPT (0.44) MAPTLMNAMEN1KMT2AKDM4E
Styrene SCHEMBL16395646 0.92 MAPT (0.44) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL170861 0.91 LMNA (0.42) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL8847311 0.86 MAPT (0.41) MAPTLMNAMEN1KMT2AKDM4E
Styrene SCHEMBL3214945 0.85 MAPT (0.41) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL8660340 0.84 ALDH1A1 (0.43) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL8660339 0.83 ALDH1A1 (0.39) MAPTLMNAMEN1KMT2AKDM4E
Styrene SCHEMBL3216401 0.82 MEN1 (0.45) MAPTLMNAMEN1KMT2AKDM4E
Styrene SCHEMBL8522148 0.82 LMNA (0.38) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL441192 0.82 POLB (0.38) MAPTLMNAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107099151-A Encapulant composition 大金工业株式会社 2017-08-29 CN disclosed
US-6953502-B2 Ink composition for water-based ball pen MITSUBISHI PENCIL KABUSHIKI KAISHA (JP) 2005-10-11 US disclosed
US-6645284-B2 Ink composition for water based ballpoint pen MITSUBISHI PENCIL KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
US-20030177947-A1 Ink composition for water-based ball pen MITSUBISHI PENCIL KABUSHIKI KAISHA (JP) 2003-09-25 US disclosed
US-20010032567-A1 Ink composition for water based ballpoint pen MITSUBISHI PENCIL KABUSHIKI KAISHA 2001-10-25 US disclosed
US-6037391-A CONSISTENT VISIBLE COLOR; WATER INSOLUBLE WHITE RESIN PARTICLES MITSUBISHI PENCIL KABUSHIKI KAISHA (JP) 2000-03-14 US disclosed