SCHEMBL6546259

SCHEMBL6546259

CCc1ccccc1C=Cc1ccccc1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.47
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
NFE2L2 Q16236 1/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
PTGER4 P35408 1/20 0.39
TP53 P04637 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3314625 1.00 CHAT (0.47) CHATGABRA1GABRB2NFE2L2MGLL
SCHEMBL318157 0.91 CHAT (0.54) CHATNFE2L2PTGER3PTGER2PTGER4
SCHEMBL29673987 0.91 CHAT (0.54) CHATNFE2L2PTGER3PTGER2PTGER4
SCHEMBL318156 0.91 CHAT (0.54) CHATNFE2L2PTGER3PTGER2PTGER4
SCHEMBL19231487 0.89 ALDH1A1 (0.50) CHATMEN1LMNABLMKMT2A
SCHEMBL2484812 0.89 ALDH1A1 (0.50) CHATMEN1LMNABLMKMT2A
SCHEMBL16105737 0.89 CHAT (0.62) CHATNFE2L2TDP1PTGER3PTGER2
SCHEMBL6472671 0.89 CHAT (0.62) CHATNFE2L2TDP1PTGER3PTGER2
SCHEMBL2484811 0.89 ALDH1A1 (0.50) CHATMEN1LMNABLMKMT2A
SCHEMBL468924 0.89 CHAT (0.62) CHATNFE2L2TDP1PTGER3PTGER2

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