SCHEMBL3450460

SCHEMBL3450460

O=C(CCc1ccccc1)CCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.52
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
EPHX1 P07099 2/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
KEAP1 Q14145 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47

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
Phenyl Propionic Acid SCHEMBL7042956 0.85 KEAP1 (0.63) EPHX2ALDH1A1L3MBTL1CYP2C19SMN1; SMN2
SCHEMBL7042959 0.81 KLK7 (0.52) EPHX2ALDH1A1L3MBTL1CYP2C19TDP1
SCHEMBL8117531 0.79 KLK7 (0.47) EPHX2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL60979 0.79 CTSS (0.54) EPHX2
SCHEMBL497371 0.78 KEAP1 (0.73) ALDH1A1L3MBTL1TDP1NPC1RAB9A
SCHEMBL11670009 0.78 HPGD (0.57) ALDH1A1MEN1KMT2ANPC1RAB9A
Phenylbutanoic Acid SCHEMBL10636202 0.78 HDAC3 (0.64) EPHX2TDP1MEN1KMT2ANPC1
Methane SCHEMBL28304943 0.77 CTSS (0.53) EPHX2
SCHEMBL3456023 0.77 L3MBTL1 (0.66) EPHX2L3MBTL1MEN1KMT2ARAB9A
SCHEMBL705394 0.77 CTSS (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1316582-B1 POLYVINYL ALCOHOL RESIN COMPOSITION AND MULTILAYER PACKAGES KURARAY CO (JP) 2012-10-31 EP disclosed
US-7820261-B2 Polyvinyl alcohol resin composition and multilayer packages KURARAY CO., LTD. (JP) 2010-10-26 US disclosed
US-20070243351-A1 POLYVINYL ALCOHOL RESIN COMPOSITION AND MULTILAYER PACKAGES KURARAY CO. LTD. (JP) 2007-10-18 US disclosed
US-7255904-B2 Polyvinyl alcohol resin composition and multilayer packages KURARAY CO., LTD. (JP) 2007-08-14 US disclosed
CN-1180019-C Polyvinyl alcohol resin composition and multiplayer packages �����ɷ� 2004-12-15 CN disclosed
EP-1316582-A1 POLYVINYL ALCOHOL RESIN COMPOSITION AND MULTILAYER PACKAGES KURARAY CO., LTD. (JP) 2003-06-04 EP disclosed
US-20030022974-A1 Polyvinyl alcohol resin composition and multilayer packages KURARAY CO., LTD. (JP) 2003-01-30 US disclosed
CN-1392889-A Polyvinyl alcohol resin composition and multilayer container KURARAY CO (JP) 2003-01-22 CN disclosed