SCHEMBL6546336

SCHEMBL6546336

CC=C(c1cccc(C)c1)c1ccc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NFE2L2 Q16236 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ACHE P22303 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNH2 Q12809 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6546331 0.81 POLB (0.42) PARP1HDAC8HDAC6POLBSMN1; SMN2
SCHEMBL6546774 0.81 POLB (0.42) PARP1HDAC8HDAC6POLBSMN1; SMN2
SCHEMBL6546582 0.78 NFE2L2 (0.46) NFE2L2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6546977 0.77 SMN1; SMN2 (0.52) PARP1HDAC8HDAC6POLBSMN1; SMN2
SCHEMBL6546846 0.73 POLB (0.46) PARP1HDAC8HDAC6POLBSMN1; SMN2
SCHEMBL21375468 0.71 PARP1 (0.43) PARP1HDAC8HDAC6POLBSMN1; SMN2
SCHEMBL10591207 0.69 SMN1; SMN2 (0.52) PARP1HDAC8HDAC6POLBSMN1; SMN2
SCHEMBL2094602 0.69 PARP1 (0.52) PARP1HDAC8HDAC6POLBSMN1; SMN2
SCHEMBL11787750 0.69 PARP1 (0.52) PARP1HDAC8HDAC6POLBSMN1; SMN2
SCHEMBL11787753 0.69 PARP1 (0.52) PARP1HDAC8HDAC6POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed