SCHEMBL6546789

SCHEMBL6546789

CCCc1ccccc1CCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
TP53 P04637 1/20 0.46
ABCB1 P08183 1/20 0.46
HTT P42858 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.43
HTR2A P28223 1/20 0.43
NR1H2 P55055 1/20 0.43

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
SCHEMBL55137 0.87 HTR1A (0.58) HTR1ADRD2ABCB1MAOAMAOB
Benzene SCHEMBL11786397 0.87 KDM4E (0.44) HTR1ATP53ALDH1A1HPGDKDM4E
SCHEMBL9839840 0.87 ADRA2B (0.43) HTR1AALDH1A1HPGDKDM4E
SCHEMBL28449931 0.86 SIGMAR1 (0.52) HTR1AMAOAMAOBSIGMAR1KCNH2
SCHEMBL6546867 0.86 SIGMAR1 (0.50) HTR1ADRD2ABCB1SIGMAR1KCNH2
SCHEMBL3961595 0.86 TP53 (0.48) HTR1ATP53HTTALDH1A1HPGD
SCHEMBL6546189 0.86 KCNH2 (0.48) HTR1AMAOASIGMAR1KCNH2HTR2A
SCHEMBL3091432 0.86 HTT (0.53) HTR1ADRD2TP53ABCB1HTT
SCHEMBL29540478 0.86 HTT (0.53) HTR1ADRD2TP53ABCB1HTT
Hydrogen Peroxide SCHEMBL29092952 0.85 LIPG (0.45) HTR1ATP53ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029645-B1 USE OF DIPHENYLETHANE DERIVATIVE AS SOLVENT FOR COLOUR-FORMER IN PRESSURE-SENSITIVE RECORDING MATERIALS; SOLUTIONS, MICROCAPSULES, SHEETS COATED WITH MICROCAPSULES AND PRESSURE-SENSITIVE RECORDING MATERIALS CONTAINING SAID SOLVENT; METHOD OF COPYING USING SAID SHEETS OR RECORDING MATERIALS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-07-20 EP claimed
JP-59155093-A None JP 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
JP-S59155093-A PRODUCTION OF COLOR DEVELOPER SHEET FOR PRESSURE- SENSITIVE RECORDING FUJI PHOTO FILM CO LTD 1984-09-04 JP disclosed