SCHEMBL6546229

SCHEMBL6546229

Cc1ccccc1CC(C)c1cccc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.39
ADRA2B P18089 4/20 0.39
ADRA2C P18825 4/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
ADRA1D P25100 2/20 0.39
TP53 P04637 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
SLC6A2 P23975 3/20 0.38
HTR7 P34969 1/20 0.38
NR3C1 P04150 2/20 0.36
PGR P06401 2/20 0.36
NR3C2 P08235 2/20 0.36

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
SCHEMBL8996448 0.91 NR3C1 (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL6547208 0.86 ESR1 (0.43) KCNH2CYP3A4CYP2D6TSHRTAAR1
SCHEMBL1954596 0.86 MAPT (0.49) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL6546728 0.81 SIGMAR1 (0.48) CYP2D6TAAR1SLC6A2MEN1KMT2A
SCHEMBL6546356 0.81 NR3C2 (0.42) KCNH2CYP3A4CYP2D6TSHRTAAR1
SCHEMBL1952508 0.80 TRPA1 (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL2024847 0.80 TSHR (0.58) TP53TSHRTAAR1MEN1KMT2A
SCHEMBL2023255 0.80 TSHR (0.53) TP53TSHRNR3C1PGRNR3C2
SCHEMBL1838330 0.78 TSHR (0.43) TP53TSHRTAAR1MEN1KMT2A
SCHEMBL1954802 0.76 TRPA1 (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1B

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