SCHEMBL6546839

SCHEMBL6546839

CCCc1cccc(-c2ccccc2)c1C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 12/20 0.67
PDCD1 Q15116 5/20 0.67
DPP4 P27487 1/20 0.44
FOLH1 Q04609 1/20 0.40
PTGS1 P23219 1/20 0.40
EPHX1 P07099 1/20 0.40
PPARA Q07869 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL8683389 0.89 CD274 (0.62) CD274PDCD1DPP4FOLH1PTGS1
SCHEMBL6546887 0.87 CD274 (0.61) CD274PDCD1DPP4PPARA
SCHEMBL27988776 0.86 PDCD1 (0.59) CD274PDCD1PPARA
SCHEMBL9342239 0.85 PDCD1 (0.47) CD274PDCD1DPP4PTGS1PPARA
SCHEMBL607544 0.84 CD274 (0.71) CD274PDCD1DPP4FOLH1PTGS1
SCHEMBL607543 0.84 DPP4 (0.56) CD274PDCD1DPP4FOLH1PPARA
SCHEMBL11199508 0.83 CD274 (0.65) CD274PDCD1DPP4EPHX1PPARA
SCHEMBL13849376 0.83 PDCD1 (0.51) CD274PDCD1FOLH1PPARA
Hydrochloric Acid SCHEMBL30641921 0.82 DPP4 (0.54) CD274PDCD1DPP4FOLH1PPARA
SCHEMBL28006147 0.81 PDCD1 (0.44) CD274PDCD1DPP4PTGS1PPARA

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