SCHEMBL8679598

SCHEMBL8679598

CCCc1c(C)ccc(-c2ccccc2)c1CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
NOS2 P35228 1/20 0.38
GCGR P47871 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
BACE1 P56817 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PSMB5 P28074 1/20 0.35
MAPT P10636 1/20 0.35
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
CXCR5 P32302 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
SCHEMBL6546459 0.85 PDCD1 (0.43) KDM4EALDH1A1GAAHPGDCYP2A6
SCHEMBL4506021 0.81 KDM4E (0.40) KDM4EALDH1A1GAAHPGDADORA3
SCHEMBL29137601 0.79 ALDH1A1 (0.45) KDM4EALDH1A1GAAHPGDCYP2A6
SCHEMBL17697640 0.76 ESR2 (0.47) ESR2ALDH1A1GAAHPGDCYP2A6
SCHEMBL15536291 0.76 PSMB5 (0.43) GCGRPDCD1CD274PSMB5HSD11B1
SCHEMBL8262763 0.75 MAPT (0.45) KDM4EALDH1A1GAAHPGDCYP2A6
SCHEMBL845280 0.74 PDCD1 (0.44) ESR2KDM4EALDH1A1CYP2A6CYP2B6
SCHEMBL10435692 0.74 BACE1 (0.42) ESR2KDM4EALDH1A1GAAHPGD
SCHEMBL8675000 0.74 PSMB5 (0.42) GCGRPDCD1CD274PSMB5HSD11B1
SCHEMBL6546895 0.74 GCGR (0.47) GCGRPDCD1CD274PSMB5CXCR5

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