SCHEMBL6736210

SCHEMBL6736210

C=C(CCc1ccccc1)C(=O)OC(=O)C(C)=CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KEAP1 Q14145 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
FFAR1 O14842 2/20 0.41
KMT2A Q03164 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2234128 0.86 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKEAP1TDP1
SCHEMBL8865247 0.85 CES2 (0.40) ALDH1A1KMT2AHDAC8HDAC6L3MBTL1
Methacrylic Acid SCHEMBL6327596 0.79 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AKEAP1TDP1
SCHEMBL3997663 0.78 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKEAP1TDP1
SCHEMBL18300374 0.76 KEAP1 (0.50) ALDH1A1NPC1RAB9AKEAP1TDP1
SCHEMBL7299043 0.75 MAPT (0.53) ALDH1A1KEAP1TDP1FFAR1KMT2A
SCHEMBL3451392 0.75 TDP1 (0.45) ALDH1A1NPC1RAB9AKEAP1TDP1
Acrylic Acid SCHEMBL28070034 0.75 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AKEAP1TDP1
SCHEMBL3291001 0.74 KEAP1 (0.52) ALDH1A1NPC1RAB9AKEAP1TDP1
SCHEMBL11319375 0.74 TDP1 (0.44) ALDH1A1NPC1RAB9AKEAP1TDP1

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-6682666-B2 ROTATING AND POLYMERIZING FIRST COMPONENT; FILLING LIQUID SECOND COMPONENT AND POLYMERIZING WHILE SUBJECTING FIRST COMPONENT TO DISSOLUTION, DIFFUSION OR RADIAL MIXING SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-01-27 US disclosed
US-20020031318-A1 Object with radially varying refractive index, and producing method and apparatus thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-03-14 US disclosed