SCHEMBL6546082

SCHEMBL6546082

CC=Cc1ccc(C)c(-c2ccccc2)c1C

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
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKT2 P31751 3/20 0.33
TDO2 P48775 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.32
MT-CO2 P00403 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL6546478 0.85 PTGS1 (0.38) PTGS1PTGS2BRD4BRD2NPC1
SCHEMBL6546792 0.81 PTGS1 (0.40) PTGS1PTGS2BRD4BRD2NPC1
SCHEMBL6546806 0.81 PTGS1 (0.40) PTGS1PTGS2BRD4BRD2NPC1
SCHEMBL25330371 0.79 BRD4 (0.36) PTGS1PTGS2BRD4BRD2NPC1
SCHEMBL28727080 0.79 ALDH1A1 (0.47) PTGS2BRD4NPC1RAB9AAKT2
SCHEMBL29114020 0.76 PARP10 (0.39) AKT2AKT1PDCD1CD274
SCHEMBL25765849 0.75 ALDH1A1 (0.35) TDO2MAPTPDE4AHSD17B10PDCD1
SCHEMBL22391489 0.72 MAPT (0.48) PTGS1PTGS2BRD4BRD2NPC1
SCHEMBL6548162 0.72 PDCD1 (0.47) PDCD1CD274
SCHEMBL6548196 0.72 PDCD1 (0.47) PDCD1CD274

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