SCHEMBL8679055

SCHEMBL8679055

CCCCC(CC)c1ccccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PTPN1 P18031 1/20 0.38
SOAT1 P35610 3/20 0.37
BRS3 P32247 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP17A1 P05093 1/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.34
KCNQ2 O43526 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8680532 0.95 CYSLTR2 (0.40) CYSLTR2CYSLTR1PTPN1SOAT1ADORA3
SCHEMBL30823635 0.93 CYSLTR2 (0.43) CYSLTR2CYSLTR1PTPN1SOAT1
SCHEMBL8683347 0.90 CYSLTR2 (0.41) CYSLTR2CYSLTR1PTPN1SOAT1BRS3
SCHEMBL8680609 0.89 ADORA3 (0.37) PTPN1SOAT1ADORA3ADORA2AADORA2B
SCHEMBL29223147 0.88 CYSLTR2 (0.47) CYSLTR2CYSLTR1PTPN1SOAT1
SCHEMBL8679017 0.85 ADORA3 (0.41) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL8680593 0.82 ALDH1A1 (0.38) CYSLTR2CYSLTR1PTPN1SOAT1KDM4E
Phosphine SCHEMBL27574977 0.81 CYSLTR2 (0.41) CYSLTR2CYSLTR1KDM4EALDH1A1TSHR
SCHEMBL8679272 0.81 PTPN1 (0.39) PTPN1SOAT1KDM4EALDH1A1CYP17A1
SCHEMBL981444 0.80 TSHR (0.44) CYSLTR2CYSLTR1KDM4EALDH1A1TSHR

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