SCHEMBL6546459

SCHEMBL6546459

CCCc1c(C)cccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
HTR7 P34969 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
CXCR5 P32302 1/20 0.39
MC4R P32245 1/20 0.39
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
TSHR P16473 2/20 0.38
NOS2 P35228 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
CRHR1 P34998 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37

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
SCHEMBL15536291 0.91 PSMB5 (0.43) PDCD1CD274HTR7MC4RTSHR
SCHEMBL6546895 0.89 GCGR (0.47) PDCD1CD274HTR7CXCR5MC4R
SCHEMBL29137601 0.88 ALDH1A1 (0.45) PDCD1CD274ALDH1A1HPGDKDM4E
SCHEMBL9717406 0.86 PDCD1 (0.47) PDCD1CD274HTR7ALDH1A1HPGD
SCHEMBL29699190 0.86 PDCD1 (0.47) PDCD1CD274HTR7ALDH1A1HPGD
SCHEMBL8679598 0.85 ESR2 (0.40) PDCD1CD274ALDH1A1HPGDKDM4E
Toluene SCHEMBL27833736 0.84 GCGR (0.43) PDCD1CD274HTR7CXCR5MC4R
SCHEMBL6139588 0.81 PDCD1 (0.47) PDCD1CD274ALDH1A1HPGDKDM4E
SCHEMBL17697636 0.80 PDCD1 (0.55) PDCD1CD274HTR7ALDH1A1HPGD
SCHEMBL30990891 0.79 LTB4R (0.42) PDCD1CD274ALDH1A1HPGDKDM4E

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-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
CN-1173886-A Polyamic acid, polyimide film and liquid crystal aligning film and liquid crystal display element CHISSO CORP (JP) 1998-02-18 CN 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
US-4918045-A SUPPORTS, MICROCAPSULES CONTAINING COLORLESS ELECTRON-DONATING COLOR FORMER AND SOLVENT, AND ELECTRON-ACCEPTING DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 1990-04-17 US disclosed