SCHEMBL2128287

SCHEMBL2128287

CCCCC(C)(C)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.40
HTR1D P28221 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP2A6 P11509 1/20 0.38
GAA P10253 5/20 0.36
KDM4E B2RXH2 5/20 0.36
NPC1 O15118 4/20 0.36
HTT P42858 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36
RCE1 Q9Y256 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 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
SCHEMBL2127595 0.95 KDM4E (0.39) HTR1BHTR1DALDH1A1GAAKDM4E
SCHEMBL10580580 0.93 CNR2 (0.40) ALDH1A1GAAKDM4ENPC1HTT
SCHEMBL27615740 0.93 CNR2 (0.40) ALDH1A1GAAKDM4ENPC1HTT
SCHEMBL2126064 0.89 CYP2A6 (0.40) HTR1BHTR1DALDH1A1CYP2A6KDM4E
SCHEMBL6546981 0.84 HTR1B (0.37) HTR1BHTR1DALDH1A1CYP2A6GAA
SCHEMBL28039400 0.84 HTR1B (0.39) HTR1BHTR1DALDH1A1CYP2A6GAA
SCHEMBL6680563 0.84 HTR1B (0.39) HTR1BHTR1DALDH1A1CYP2A6GAA
SCHEMBL6680295 0.82 HTR1B (0.38) HTR1BHTR1DALDH1A1CYP2A6GAA
SCHEMBL28141320 0.82 HTR1B (0.38) HTR1BHTR1DALDH1A1CYP2A6GAA
SCHEMBL19725597 0.82 CYP1A2 (0.47) ALDH1A1GAAKDM4ENPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018538-B1 REFRIGERATOR FLUID COMPOSITION NIPPON MITSUBISHI OIL CORP (JP) 2017-03-22 EP disclosed
US-20120096878-A1 Refrigeration Circuit and Method for Improving Same SANDEN CORPORATION (JP) 2012-04-26 US disclosed
EP-2444469-A1 REFRIGERATION CIRCUIT AND METHOD FOR IMPROVING SAME Sanden Corporation (JP) 2012-04-25 EP 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
EP-1018538-A1 REFRIGERATOR OIL COMPOSITION AND REFRIGERATOR FLUID COMPOSITION Nippon Mitsubishi Oil Corporation (JP) 2000-07-12 EP disclosed
EP-0989179-A1 Refrigerating machine oil Nippon Mitsubishi Oil Corporation (JP) 2000-03-29 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