SCHEMBL8680609

SCHEMBL8680609

CCCC(CC)c1ccccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
KCNQ2 O43526 1/20 0.36
MAPT P10636 1/20 0.36
DPP4 P27487 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
FFAR1 O14842 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CA12 O43570 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
SCHEMBL8680593 0.92 ALDH1A1 (0.38) ALDH1A1KDM4EDPP4PDCD1CD274
SCHEMBL8679055 0.89 CYSLTR2 (0.38) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL8679017 0.88 ADORA3 (0.41) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL8680532 0.88 CYSLTR2 (0.40) ADORA3ADORA2AADORA2BADORA1PTPN1
SCHEMBL30823635 0.86 CYSLTR2 (0.43) PTPN1SOAT1
SCHEMBL8683347 0.86 CYSLTR2 (0.41) ALDH1A1KDM4ETSHRPTPN1SOAT1
SCHEMBL22889066 0.85 HNF4A (0.40) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL20032177 0.82 CHRM1 (0.45) ADORA2AADORA1KMT2A
SCHEMBL20032478 0.82 MAOB (0.37) KDM4EMAPTHPGDMAPK1
SCHEMBL20032433 0.80 PTGDR2 (0.38) ADORA3ADORA2AADORA2BADORA1KDM4E

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