SCHEMBL8679017

SCHEMBL8679017

CCC(CC)c1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KCNQ2 O43526 1/20 0.39
MAPT P10636 1/20 0.39
DPP4 P27487 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL8680609 0.88 ADORA3 (0.37) ADORA3ADORA2AADORA2BADORA1KCNQ2
SCHEMBL11208144 0.87 PPARA (0.43) ADORA3ADORA2AADORA2BADORA1CYP2A6
SCHEMBL8679055 0.85 CYSLTR2 (0.38) ADORA3ADORA2AADORA2BADORA1KCNQ2
SCHEMBL27669214 0.84 GPR84 (0.41) KCNQ2MAPTDPP4PDCD1CD274
SCHEMBL8680532 0.84 CYSLTR2 (0.40) ADORA3ADORA2AADORA2BADORA1
SCHEMBL8680593 0.83 ALDH1A1 (0.38) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL30823635 0.82 CYSLTR2 (0.43)
SCHEMBL5551237 0.81 TSHR (0.55) KCNQ2MAPTDPP4PDCD1CD274
SCHEMBL11484695 0.80 ALDH1A1 (0.44) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL18713965 0.80 MAOB (0.40) MAPTHPGDMAPK1SMN1; SMN2LMNA

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 5 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
EP-0558816-B1 Process for the preparation of monobenzylated alkylbiphenyls and their use HUELS CHEMISCHE WERKE AG (DE) 1995-10-11 EP disclosed
EP-0558816-A1 Process for the preparation of monobenzylated alkylbiphenyls and their use HÜLS AKTIENGESELLSCHAFT (DE) 1993-09-08 EP disclosed