SCHEMBL6547532

SCHEMBL6547532

CCC=CCc1ccc(C)c(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
PSMB5 P28074 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ESR2 Q92731 1/20 0.35
BACE1 P56817 1/20 0.34
HTR7 P34969 4/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CSNK2A1 P68400 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 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
SCHEMBL6547005 0.80 GABRA1 (0.49) MEN1LMNAGAAKMT2AL3MBTL1
SCHEMBL28351857 0.77 MAOB (0.56) MAOBLMNAGAAL3MBTL1
SCHEMBL20643276 0.76 AGXT (0.50) MAOB
SCHEMBL6547024 0.76 PSMB5 (0.50) PSMB5MEN1LMNAGAAKMT2A
SCHEMBL2208511 0.75 ESR2 (0.46) PSMB5MEN1LMNAGAAKMT2A
SCHEMBL3785998 0.74 CSNK2A1 (0.58) MEN1LMNAGAAKMT2AL3MBTL1
SCHEMBL10654561 0.73 PSMB5 (0.62) PSMB5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL106848 0.72 MAOB (0.75) MAOB
SCHEMBL18648467 0.72 MAOB (0.75) MAOB
SCHEMBL106917 0.72 MAOB (0.75) MAOB

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