SCHEMBL6546271

SCHEMBL6546271

CC/C=C/Cc1ccc(-c2ccccc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
BRD4 O60885 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL6546281 0.88 GAA (0.40) MAPTHPGDGAAKDM4EBRD4
SCHEMBL1879330 0.77 TAAR1 (0.48) MAPTHPGDGAALMNAHTT
SCHEMBL1879329 0.77 TAAR1 (0.48) MAPTHPGDGAALMNAHTT
SCHEMBL455471 0.77 MAPT (0.40) MAPTHPGDGAAKDM4EBRD4
SCHEMBL28351857 0.76 MAOB (0.56) MAPTGAALMNAHTTSMN1; SMN2
SCHEMBL20643276 0.75 AGXT (0.50)
SCHEMBL2571211 0.74 TAAR1 (0.48) MAPTHPGDGAAKDM4EBRD4
SCHEMBL31490983 0.74 ERBB2 (0.41) MAPTHPGDGAAKDM4EBRD4
SCHEMBL5263743 0.74 PDCD1 (0.48) MAPTLMNAHTTRAB9ASMN1; SMN2
SCHEMBL3174141 0.74 DCLRE1B (0.51) MAPTHPGDGAAKDM4EBRD4

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