SCHEMBL8680593

SCHEMBL8680593

CCCC(CCC)c1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
DPP4 P27487 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
FFAR1 O14842 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL8683347 0.93 CYSLTR2 (0.41) ALDH1A1KDM4ECYSLTR2CYSLTR1PTPN1
SCHEMBL8680609 0.92 ADORA3 (0.37) ALDH1A1KDM4EDPP4PDCD1CD274
SCHEMBL29223147 0.84 CYSLTR2 (0.47) CYSLTR2CYSLTR1PTPN1SOAT1
SCHEMBL8679017 0.83 ADORA3 (0.41) ALDH1A1KDM4EDPP4PDCD1CD274
SCHEMBL15536289 0.82 KDM4E (0.40) ALDH1A1KDM4EDPP4PDCD1CD274
SCHEMBL8679055 0.82 CYSLTR2 (0.38) ALDH1A1KDM4ECYSLTR2CYSLTR1MAPK1
SCHEMBL11334274 0.81 CHRM1 (0.40) ALDH1A1KDM4EPDCD1CD274NPC1
SCHEMBL5609220 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EDPP4PDCD1CD274
SCHEMBL5790615 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EDPP4PDCD1CD274
SCHEMBL9243742 0.81 KCNQ2 (0.39) ALDH1A1KDM4EDPP4FFAR1GPR84

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