SCHEMBL6547601

SCHEMBL6547601

CCCCc1ccccc1C(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.46
CYSLTR1 Q9Y271 9/20 0.46
LIPG Q9Y5X9 1/20 0.40
TYR P14679 1/20 0.39
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
POLB P06746 1/20 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
SCHEMBL6546081 0.89 ADRA2A (0.42) CYSLTR2CYSLTR1TYRSLC6A4CYP2C9
SCHEMBL9621646 0.89 CYSLTR2 (0.46) CYSLTR2CYSLTR1LIPGTYRCYP3A4
SCHEMBL10602405 0.86 ADRA2A (0.40) CYSLTR2CYSLTR1TYRSLC6A4CYP2C9
SCHEMBL12506235 0.84 CYSLTR2 (0.47) CYSLTR2CYSLTR1LIPGHTR2ACYP3A4
Hydrogen Peroxide SCHEMBL2318664 0.81 CYSLTR2 (0.51) CYSLTR2CYSLTR1LIPGCYP3A4CYP2D6
SCHEMBL30436245 0.81 CYSLTR2 (0.46) CYSLTR2CYSLTR1LIPGTYRCYP3A4
SCHEMBL5665256 0.81 CYSLTR2 (0.46) CYSLTR2CYSLTR1LIPGTYRCYP3A4
SCHEMBL28674805 0.81 HTT (0.45) TYRSLC6A4CYP3A4CYP2D6POLB
SCHEMBL3074943 0.81 HTT (0.45) TYRSLC6A4CYP3A4CYP2D6POLB
SCHEMBL29486474 0.81 HTT (0.45) TYRSLC6A4CYP3A4CYP2D6POLB

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