SCHEMBL6546478

SCHEMBL6546478

CC=Cc1ccc(C)c(C)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.38
PTGS2 P35354 6/20 0.38
BRD4 O60885 2/20 0.35
BRD2 P25440 1/20 0.35
AKT2 P31751 2/20 0.33
AKT1 P31749 1/20 0.33
AKT3 Q9Y243 1/20 0.33
CHEK1 O14757 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KIF11 P52732 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL6546082 0.85 PTGS1 (0.38) PTGS1PTGS2BRD4BRD2AKT2
SCHEMBL6546792 0.81 PTGS1 (0.40) PTGS1PTGS2BRD4BRD2AKT2
SCHEMBL6546806 0.81 PTGS1 (0.40) PTGS1PTGS2BRD4BRD2AKT2
SCHEMBL13496815 0.79 ALDH1A1 (0.47) PTGS2BRD4AKT2AKT1AKT3
SCHEMBL4447138 0.72 KMT2A (0.41) PTGS1PTGS2BRD4AKT2CYP1A2
SCHEMBL16296809 0.72 ESR2 (0.40) PTGS2AKT2AKT1CYP1A2CYP2A6
SCHEMBL29114020 0.72 PARP10 (0.39) AKT2AKT1CYP2A6
SCHEMBL25765849 0.71 ALDH1A1 (0.35) CYP2A6MAPTTDO2
SCHEMBL982859 0.70 TRPA1 (0.44) CYP1A2HSP90AA1LMNAMAPTHTT
SCHEMBL4473038 0.70 TDP2 (0.46) PTGS1PTGS2BRD4BRD2AKT2

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