SCHEMBL6548166

SCHEMBL6548166

CC=Cc1c(C)cccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CXCR5 P32302 1/20 0.39
CYP2A6 P11509 2/20 0.38
CYP2B6 P20813 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PTGS2 P35354 1/20 0.36
ESR2 Q92731 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL27463129 0.84 KDM4E (0.42) KDM4EPDCD1CD274CYP2A6CYP2B6
SCHEMBL19262039 0.83 RPA1 (0.39) KDM4EPDCD1CD274CXCR5CYP2A6
SCHEMBL22643645 0.81 ALDH1A1 (0.46) KDM4EALDH1A1TSHRPTGS2LMNA
SCHEMBL16296809 0.81 ESR2 (0.40) KDM4EPDCD1CD274CXCR5CYP2A6
SCHEMBL20120117 0.79 ALDH1A1 (0.52) KDM4EPDCD1CD274CYP2A6ALDH1A1
SCHEMBL458856 0.79 CYP2A6 (0.41) CXCR5CYP2A6ALDH1A1TSHRCA1
SCHEMBL20117329 0.79 CYP2A6 (0.41) CXCR5CYP2A6ALDH1A1TSHRCA1
SCHEMBL674402 0.79 CYP2A6 (0.41) CXCR5CYP2A6ALDH1A1TSHRCA1
SCHEMBL1588208 0.78 KDM4E (0.41) KDM4EPDCD1CD274CYP2A6CYP2B6
SCHEMBL30404870 0.78 KDM4E (0.45) KDM4EPDCD1CD274CYP2A6CYP2B6

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