SCHEMBL6546356

SCHEMBL6546356

CCc1ccccc1C(C)Cc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
TAAR1 Q96RJ0 1/20 0.38
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
SHBG P04278 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ESR1 P03372 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 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
SCHEMBL6547208 0.86 ESR1 (0.43) NR3C2NR3C1PGRTAAR1TSHR
SCHEMBL6546229 0.81 ADRA2A (0.39) NR3C2NR3C1PGRTAAR1TSHR
SCHEMBL1952938 0.80 TSHR (0.53) TAAR1TSHRSLC6A2SLC6A4CYP3A4
SCHEMBL2024847 0.80 TSHR (0.58) TAAR1TSHRPPARGPPARAKMT2A
SCHEMBL6546197 0.79 SIGMAR1 (0.48) TAAR1KMT2AMEN1SLC6A2SLC6A4
SCHEMBL3627333 0.78 TSHR (0.59) TSHRPPARASLC6A2SLC6A4KDM4E
SCHEMBL6546213 0.77 ESR1 (0.42) TAAR1TSHRPTGS1PTGS2SHBG
SCHEMBL6546230 0.75 NR3C1 (0.43) NR3C2NR3C1PGRTAAR1KMT2A
SCHEMBL1838330 0.75 TSHR (0.43) TAAR1TSHRKMT2AMEN1
SCHEMBL40576 0.75

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