SCHEMBL6546281

SCHEMBL6546281

CCC=CCc1cc(-c2ccccc2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
BACE1 P56817 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
DCLRE1A Q6PJP8 1/20 0.35
DCLRE1B Q9H816 1/20 0.35
HSD17B1 P14061 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33
PTGS1 P23219 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL6546271 0.88 MAPT (0.38) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL13037451 0.79 CYP1A2 (0.41) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL1879330 0.76 TAAR1 (0.48) GAAMAPTHPGDALDH1A1LMNA
SCHEMBL1879329 0.76 TAAR1 (0.48) GAAMAPTHPGDALDH1A1LMNA
SCHEMBL28351857 0.74 MAOB (0.56) GAAMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL20643276 0.74 AGXT (0.50)
SCHEMBL2139060 0.73 HPGD (0.42) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL3784027 0.73 TAAR1 (0.48) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL27671603 0.73 GAA (0.42) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL6773228 0.73 HPGD (0.50) GAAKDM4EMAPTHPGDCYP1A2

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