SCHEMBL8679274

SCHEMBL8679274

Cc1c(CC(C)C)ccc(-c2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.46
PDCD1 Q15116 2/20 0.46
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS1 P23219 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR2 Q92731 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
CTSS P25774 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
SCHEMBL8679934 0.85 CD274 (0.65) CD274PDCD1GABRA1GABRB2KMT2A
Ammonia Solution, Strong SCHEMBL9346396 0.79 CD274 (0.47) CD274PDCD1PTGS1ALDH1A1ESR2
SCHEMBL8679266 0.79 CD274 (0.50) CD274PDCD1KMT2APTGS1SMN1; SMN2
SCHEMBL9792869 0.77 PDCD1 (0.54) CD274PDCD1PTGS1ALDH1A1HPGD
SCHEMBL4630258 0.76 KMT2A (0.60) CD274PDCD1GABRA1GABRB2ADORA3
Ammonia Solution, Strong SCHEMBL2967636 0.76 CD274 (0.47) CD274PDCD1PTGS1ALDH1A1ESR2
SCHEMBL9342239 0.76 PDCD1 (0.47) CD274PDCD1ADORA3ADORA2AADORA1
SCHEMBL11212391 0.76 PDCD1 (0.47) CD274PDCD1PTGS1HPGDSMN1; SMN2
SCHEMBL3031707 0.74 KMT2A (0.43) GABRA1GABRB2ADORA3ADORA2AADORA2B
SCHEMBL11200440 0.74 PDCD1 (0.46) CD274PDCD1PTGS1

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