SCHEMBL8679607

SCHEMBL8679607

CCCC(CC)(CC)c1ccccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPK1 P28482 1/20 0.33
SOAT1 P35610 2/20 0.33
ADRB2 P07550 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HSD11B1 P28845 1/20 0.32
HTR7 P34969 2/20 0.32
PTGS2 P35354 1/20 0.32
SLC13A5 Q86YT5 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL8679018 0.88 DPP4 (0.39) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL8679296 0.80 DPP4 (0.37) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL8679025 0.79 DPP4 (0.35) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL8683303 0.79 DPP4 (0.39) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL3764836 0.75 AR (0.35) DPP4PDCD1CD274ALDH1A1HPGD
SCHEMBL8679597 0.75 DPP4 (0.42) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL127574 0.75 MAPK1 (0.41) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL8683363 0.74 SOAT1 (0.36) DPP4SOAT1HSD11B1
SCHEMBL815975 0.73
SCHEMBL983851 0.73 TSHR (0.48) ALDH1A1HSD17B10HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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