SCHEMBL6547900

SCHEMBL6547900

CCCc1ccccc1C(CC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.42
HRH1 P35367 3/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CYSLTR2 Q9NS75 7/20 0.39
CYSLTR1 Q9Y271 7/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
CYP19A1 P11511 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 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
SCHEMBL12506237 0.92 HTR2A (0.45) HTR2AHRH1LMNATDP1CYSLTR2
SCHEMBL12506235 0.89 CYSLTR2 (0.47) HTR2AHRH1LMNATDP1CYSLTR2
SCHEMBL24244198 0.85 TAAR1 (0.47) HTR2AHRH1LMNATDP1TAAR1
SCHEMBL6546270 0.83 HTR2A (0.45) HTR2AHRH1LMNATDP1CYP1A2
SCHEMBL6546081 0.82 ADRA2A (0.42) LMNAADRA2AADRA2BADRA2CCYSLTR2
SCHEMBL11205377 0.80 HTR2A (0.54) HTR2AHRH1LMNATDP1CYP1A2
SCHEMBL27860164 0.80 HTR2A (0.46) HTR2AHRH1LMNATDP1CYP1A2
SCHEMBL10602405 0.79 ADRA2A (0.40) LMNAADRA2AADRA2BADRA2CCYSLTR2
SCHEMBL1835784 0.79 PPARA (0.43) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL9235194 0.78 HTR2A (0.41) HTR2AHRH1LMNATDP1ADRA2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658635-A2 REMOVAL OF BROMINE FROM GASEOUS HYDROGEN BROMIDE Albemarle Corporation (US) 2013-11-06 EP disclosed
WO-2012092338-A2 REMOVAL OF BROMINE FROM GASEOUS HYDROGEN BROMIDE ALBEMARLE CORPORATION (US) 2012-07-05 WO disclosed
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