SCHEMBL6546774

SCHEMBL6546774

CC=C(c1cccc(C)c1)c1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
PARP1 P09874 1/20 0.42
ACHE P22303 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FAAH O00519 1/20 0.36
TRPA1 O75762 1/20 0.35
ATM Q13315 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
SCHEMBL6546331 1.00 POLB (0.42) POLBKCNK3KCNK9PARP1ACHE
SCHEMBL6546336 0.81 PARP1 (0.43) POLBKCNK3KCNK9PARP1ACHE
SCHEMBL6546977 0.76 SMN1; SMN2 (0.52) POLBKCNK3KCNK9PARP1ACHE
SCHEMBL6546578 0.76 TRPA1 (0.41) ACHENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6546846 0.76 POLB (0.46) POLBKCNK3KCNK9PARP1HDAC8
M-Xylene SCHEMBL4596537 0.72 ACHE (0.71) ACHEHDAC8HDAC6TDP1TRPA1
SCHEMBL21375468 0.70 PARP1 (0.43) POLBKCNK3KCNK9PARP1ACHE
SCHEMBL6548199 0.70 NPC1 (0.42) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL7925207 0.70 NPC1 (0.42) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL6002891 0.69 KCNK3 (0.53) POLBKCNK3KCNK9PARP1ACHE

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