SCHEMBL6546801

SCHEMBL6546801

Cc1ccc(CCCCCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
SIGMAR1 Q99720 9/20 0.57
MAOA P21397 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
IGF1R P08069 1/20 0.53
ALOX15 P16050 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR2A P28223 1/20 0.52
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL6546824 0.98 MAOB (0.60) MAOBSIGMAR1MAOAL3MBTL1IGF1R
SCHEMBL2356590 0.93 HTR2A (0.60) MAOBSIGMAR1L3MBTL1TDP1HTR2A
P-Xylene SCHEMBL20836571 0.90 HTR2A (0.56) SIGMAR1MAOAL3MBTL1TDP1HTR2A
SCHEMBL10571160 0.90 IGF1R (0.61) IGF1RALOX15TDP1HTR2A
SCHEMBL28184336 0.90 IGF1R (0.61) IGF1RALOX15TDP1HTR2A
SCHEMBL3022199 0.87 TDP1 (0.59) MAOBMAOAL3MBTL1TDP1
SCHEMBL12506243 0.87 TDP1 (0.59) MAOBMAOAL3MBTL1TDP1
Toluene SCHEMBL459639 0.87 HTR2A (0.57) SIGMAR1HTR2AMAPT
Toluene SCHEMBL2490583 0.87 HTR2A (0.57) SIGMAR1HTR2AMAPT
Toluene SCHEMBL8638308 0.87 HTR2A (0.57) SIGMAR1HTR2AMAPT

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